CID 137949293

2138017-49-7

Structural Information

Molecular Formula
C7H5ClF3NO2S
SMILES
C1=CC(=C(N=C1)C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF3NO2S/c8-15(13,14)4-5-2-1-3-12-6(5)7(9,10)11/h1-3H,4H2
InChIKey
DWNJWGAVQDTXSY-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)pyridin-3-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.96817 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.97545 143.7
[M+Na]+ 281.95739 154.8
[M-H]- 257.96089 143.0
[M+NH4]+ 277.00199 160.7
[M+K]+ 297.93133 149.9
[M+H-H2O]+ 241.96543 136.2
[M+HCOO]- 303.96637 152.4
[M+CH3COO]- 317.98202 187.4
[M+Na-2H]- 279.94284 148.4
[M]+ 258.96762 144.6
[M]- 258.96872 144.6
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.