CID 110546

Perfluoroheptane-1-sulfinic acid

Structural Information

Molecular Formula
C7HF15O2S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15O2S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)25(23)24/h(H,23,24)
InChIKey
PCGFFOXXPIGVKC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

433.94577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.95305 172.8
[M+Na]+ 456.93499 181.0
[M-H]- 432.93849 155.7
[M+NH4]+ 451.97959 163.7
[M+K]+ 472.90893 177.5
[M+H-H2O]+ 416.94303 157.9
[M+HCOO]- 478.94397 174.7
[M+CH3COO]- 492.95962 221.5
[M+Na-2H]- 454.92044 174.0
[M]+ 433.94522 151.0
[M]- 433.94632 151.0
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