CID 55279242

[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C5H6ClF3O2S
SMILES
C1CC1(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C5H6ClF3O2S/c6-12(10,11)3-4(1-2-4)5(7,8)9/h1-3H2
InChIKey
XQVXYKKWUAPBAK-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

221.97292 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98020 128.4
[M+Na]+ 244.96214 139.2
[M-H]- 220.96564 129.6
[M+NH4]+ 240.00674 144.8
[M+K]+ 260.93608 135.8
[M+H-H2O]+ 204.97018 122.8
[M+HCOO]- 266.97112 137.6
[M+CH3COO]- 280.98677 183.7
[M+Na-2H]- 242.94759 134.4
[M]+ 221.97237 131.4
[M]- 221.97347 131.4
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

patents stripe