CID 87557611

1-chloroperfluorobutanesulfonic acid

Structural Information

Molecular Formula
C4HClF8O3S
SMILES
C(C(C(F)(S(=O)(=O)O)Cl)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4HClF8O3S/c5-3(10,17(14,15)16)1(6,7)2(8,9)4(11,12)13/h(H,14,15,16)
InChIKey
IQCHUJYEVZZWCI-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,4,4,4-octafluorobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

315.92072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.92800 144.7
[M+Na]+ 338.90994 154.6
[M-H]- 314.91344 134.9
[M+NH4]+ 333.95454 159.0
[M+K]+ 354.88388 150.4
[M+H-H2O]+ 298.91798 135.9
[M+HCOO]- 360.91892 143.3
[M+CH3COO]- 374.93457 195.3
[M+Na-2H]- 336.89539 149.7
[M]+ 315.92017 136.6
[M]- 315.92127 136.6
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

patents stripe