CID 139594967

2h-perfluorohexadecanoic acid

Structural Information

Molecular Formula
C16H2F30O2
SMILES
C(C(=O)O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C16H2F30O2/c17-1(2(47)48)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)46/h1H,(H,47,48)
InChIKey
FSTPMVQHNXZCGF-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-triacontafluorohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

795.9576 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.96488 213.5
[M+Na]+ 818.94682 215.9
[M-H]- 794.95032 226.9
[M+NH4]+ 813.99142 226.3
[M+K]+ 834.92076 231.4
[M+H-H2O]+ 778.95486 200.5
[M+HCOO]- 840.95580 226.3
[M+CH3COO]- 854.97145 268.4
[M+Na-2H]- 816.93227 215.6
[M]+ 795.95705 210.2
[M]- 795.95815 210.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.