CID 137935453

[1-(trifluoromethyl)cyclopentyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C7H10ClF3O2S
SMILES
C1CCC(C1)(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C7H10ClF3O2S/c8-14(12,13)5-6(7(9,10)11)3-1-2-4-6/h1-5H2
InChIKey
BOFGEDDMRGAOBC-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclopentyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.00421 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01149 145.6
[M+Na]+ 272.99343 154.7
[M-H]- 248.99693 145.5
[M+NH4]+ 268.03803 167.7
[M+K]+ 288.96737 150.9
[M+H-H2O]+ 233.00147 140.7
[M+HCOO]- 295.00241 153.6
[M+CH3COO]- 309.01806 184.1
[M+Na-2H]- 270.97888 148.7
[M]+ 250.00366 144.1
[M]- 250.00476 144.1
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.