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]+ 209.978636 134.3
[M+Na]+ 231.960578 145.5
[M-H]- 207.964084 136.3
[M+NH4]+ 227.005183 153.5
[M+K]+ 247.934518 141.2
[M+H-H2O]+ 191.968620 128.6
[M+HCOO]- 253.969561 146.9
[M+CH3COO]- 267.985211 179.1
[M+Na-2H]- 229.946026 139.7
[M]+ 208.97081142 137.8
[M]- 208.97190858 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.