CID 145915792

Rac-[(1r,2r)-2-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C5H6ClF3O2S
SMILES
C1[C@H]([C@@H]1C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C5H6ClF3O2S/c6-12(10,11)2-3-1-4(3)5(7,8)9/h3-4H,1-2H2/t3-,4+/m0/s1
InChIKey
CNAMKVHLKIFOPA-IUYQGCFVSA-N
Compound name
[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 127.9
[M+Na]+ 244.96214 139.0
[M-H]- 220.96564 129.2
[M+NH4]+ 240.00674 142.8
[M+K]+ 260.93608 134.5
[M+H-H2O]+ 204.97018 121.1
[M+HCOO]- 266.97112 137.4
[M+CH3COO]- 280.98677 185.2
[M+Na-2H]- 242.94759 131.9
[M]+ 221.97237 130.8
[M]- 221.97347 130.8
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.