CID 96713

4-chloro-3-nitrobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H3ClFNO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H3ClFNO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H
InChIKey
AMGFGPCYAMRLHF-UHFFFAOYSA-N
Compound name
4-chloro-3-nitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

238.94554 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.952816 139.0
[M+Na]+ 261.934758 148.9
[M-H]- 237.938264 142.3
[M+NH4]+ 256.979363 157.1
[M+K]+ 277.908698 141.0
[M+H-H2O]+ 221.942800 138.6
[M+HCOO]- 283.943741 153.9
[M+CH3COO]- 297.959391 178.6
[M+Na-2H]- 259.920206 145.5
[M]+ 238.94499142 140.7
[M]- 238.94608858 140.7
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