CID 12904368

5-fluoro-2-nitrobenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

238.94554 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe