CID 137964610

2-(chloromethyl)pyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C6H5ClFNO2S
SMILES
C1=CN=C(C=C1S(=O)(=O)F)CCl
InChI
InChI=1S/C6H5ClFNO2S/c7-4-5-3-6(1-2-9-5)12(8,10)11/h1-3H,4H2
InChIKey
DQDBILWHTIXKCC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.97136 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.97864 134.3
[M+Na]+ 231.96058 145.5
[M-H]- 207.96408 136.3
[M+NH4]+ 227.00518 153.5
[M+K]+ 247.93452 141.2
[M+H-H2O]+ 191.96862 128.6
[M+HCOO]- 253.96956 146.9
[M+CH3COO]- 267.98521 179.1
[M+Na-2H]- 229.94603 139.7
[M]+ 208.97081 137.8
[M]- 208.97191 137.8
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.