CID 53415104

6-(trifluoromethyl)pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClF3NO2S
SMILES
C1=CC(=NC(=C1)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey
NYLSSIUKRSAKBT-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

244.95251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95979 139.1
[M+Na]+ 267.94173 150.7
[M-H]- 243.94523 138.6
[M+NH4]+ 262.98633 156.7
[M+K]+ 283.91567 146.0
[M+H-H2O]+ 227.94977 131.8
[M+HCOO]- 289.95071 148.1
[M+CH3COO]- 303.96636 184.4
[M+Na-2H]- 265.92718 144.3
[M]+ 244.95196 139.6
[M]- 244.95306 139.6
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

patents stripe