CID 155978487

[3,3-difluoro-1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C6H6ClF5O2S
SMILES
C1C(CC1(F)F)(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H6ClF5O2S/c7-15(13,14)3-4(6(10,11)12)1-5(8,9)2-4/h1-3H2
InChIKey
PKMBWXPSQNCAJL-UHFFFAOYSA-N
Compound name
[3,3-difluoro-1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.96973 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97701 139.2
[M+Na]+ 294.95895 148.3
[M-H]- 270.96245 137.0
[M+NH4]+ 290.00355 154.0
[M+K]+ 310.93289 146.8
[M+H-H2O]+ 254.96699 129.2
[M+HCOO]- 316.96793 144.4
[M+CH3COO]- 330.98358 192.6
[M+Na-2H]- 292.94440 143.7
[M]+ 271.96918 145.3
[M]- 271.97028 145.3
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.