CID 45791680

3-fluoro-5-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClFNO4S
SMILES
C1=C(C=C(C=C1F)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H3ClFNO4S/c7-14(12,13)6-2-4(8)1-5(3-6)9(10)11/h1-3H
InChIKey
JZJTXMFIKXSDMR-UHFFFAOYSA-N
Compound name
3-fluoro-5-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

238.94554 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.95282 137.5
[M+Na]+ 261.93476 150.1
[M+NH4]+ 256.97936 144.7
[M+K]+ 277.90870 146.2
[M-H]- 237.93826 137.9
[M+Na-2H]- 259.92021 142.9
[M]+ 238.94499 139.9
[M]- 238.94609 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe