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]+ 251.011486 139.2
[M+Na]+ 272.993428 147.1
[M-H]- 248.996934 139.2
[M+NH4]+ 268.038033 153.2
[M+K]+ 288.967368 146.1
[M+H-H2O]+ 233.001470 129.3
[M+HCOO]- 295.002411 146.0
[M+CH3COO]- 309.018061 190.3
[M+Na-2H]- 270.978876 142.7
[M]+ 250.00366142 147.7
[M]- 250.00475858 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.