CID 155822605

2503205-03-4

Structural Information

Molecular Formula
C7H10ClF3O2S
SMILES
CC1(CC(C1)C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H10ClF3O2S/c1-6(4-14(8,12)13)2-5(3-6)7(9,10)11/h5H,2-4H2,1H3
InChIKey
OMEBBVGDJIUSQE-UHFFFAOYSA-N
Compound name
[1-methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.00421 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01149 139.2
[M+Na]+ 272.99343 147.1
[M-H]- 248.99693 139.2
[M+NH4]+ 268.03803 153.2
[M+K]+ 288.96737 146.1
[M+H-H2O]+ 233.00147 129.3
[M+HCOO]- 295.00241 146.0
[M+CH3COO]- 309.01806 190.3
[M+Na-2H]- 270.97888 142.7
[M]+ 250.00366 147.7
[M]- 250.00476 147.7
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.