CID 529307

1h,1h,13h-perfluorotridecan-1-ol

Structural Information

Molecular Formula
C13H4F24O
SMILES
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)O
InChI
InChI=1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
InChIKey
LNNWSUTUIVJKDJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

631.9879 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.99518 185.7
[M+Na]+ 654.97712 189.1
[M-H]- 630.98062 195.2
[M+NH4]+ 650.02172 196.0
[M+K]+ 670.95106 202.2
[M+H-H2O]+ 614.98516 172.8
[M+HCOO]- 676.98610 201.4
[M+CH3COO]- 691.00175 254.8
[M+Na-2H]- 652.96257 186.4
[M]+ 631.98735 182.8
[M]- 631.98845 182.8
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

patents stripe