CID 139596085

1-chloro-perfluoroheptane-1-sulfonic acid

Structural Information

Molecular Formula
C7HClF14O3S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(S(=O)(=O)O)Cl)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HClF14O3S/c8-6(19,26(23,24)25)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(20,21)22/h(H,23,24,25)
InChIKey
MOHRJUUZWQXUHK-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

465.91113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.91841 173.6
[M+Na]+ 488.90035 182.7
[M-H]- 464.90385 162.3
[M+NH4]+ 483.94495 164.5
[M+K]+ 504.87429 178.1
[M+H-H2O]+ 448.90839 160.5
[M+HCOO]- 510.90933 177.8
[M+CH3COO]- 524.92498 222.7
[M+Na-2H]- 486.88580 178.5
[M]+ 465.91058 160.6
[M]- 465.91168 160.6
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.