CID 324955

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4ClF9O2S
SMILES
C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)2(8,9)1(6,7)3(10,11)12
InChIKey
IRFCLLARAUQTNK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

389
Patents

317.91638 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.92366 144.6
[M+Na]+ 340.90560 155.1
[M-H]- 316.90910 135.0
[M+NH4]+ 335.95020 159.5
[M+K]+ 356.87954 150.9
[M+H-H2O]+ 300.91364 134.6
[M+HCOO]- 362.91458 143.4
[M+CH3COO]- 376.93023 198.8
[M+Na-2H]- 338.89105 149.0
[M]+ 317.91583 135.5
[M]- 317.91693 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe