CID 139594533

Clpflcas_i n=13

Structural Information

Molecular Formula
C14HClF26O2
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C14HClF26O2/c15-14(40,41)13(38,39)12(36,37)11(34,35)10(32,33)9(30,31)8(28,29)7(26,27)6(24,25)5(22,23)4(20,21)3(18,19)2(16,17)1(42)43/h(H,42,43)
InChIKey
CHLPJPFPFIAASS-UHFFFAOYSA-N
Compound name
14-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluorotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

729.925 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.93228 196.2
[M+Na]+ 752.91422 199.2
[M-H]- 728.91772 209.2
[M+NH4]+ 747.95882 208.8
[M+K]+ 768.88816 214.0
[M+H-H2O]+ 712.92226 182.8
[M+HCOO]- 774.92320 212.1
[M+CH3COO]- 788.93885 262.4
[M+Na-2H]- 750.89967 198.1
[M]+ 729.92445 196.3
[M]- 729.92555 196.3
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.