CID 165942385

[3-fluoro-1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C6H7ClF4O2S
SMILES
C1C(CC1(CS(=O)(=O)Cl)C(F)(F)F)F
InChI
InChI=1S/C6H7ClF4O2S/c7-14(12,13)3-5(6(9,10)11)1-4(8)2-5/h4H,1-3H2
InChIKey
FQUGOXIGTDPMTR-UHFFFAOYSA-N
Compound name
[3-fluoro-1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.97914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98642 137.1
[M+Na]+ 276.96836 145.4
[M-H]- 252.97186 135.9
[M+NH4]+ 272.01296 150.8
[M+K]+ 292.94230 144.2
[M+H-H2O]+ 236.97640 126.4
[M+HCOO]- 298.97734 143.2
[M+CH3COO]- 312.99299 190.1
[M+Na-2H]- 274.95381 140.6
[M]+ 253.97859 144.0
[M]- 253.97969 144.0
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

No patent data available for this compound.