CID 55280196

3-hydroxy-4-nitrobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClNO5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C6H4ClNO5S/c7-14(12,13)4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChIKey
KZLATXXYIOQJMI-UHFFFAOYSA-N
Compound name
3-hydroxy-4-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.94987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95715 140.2
[M+Na]+ 259.93909 149.3
[M-H]- 235.94259 143.5
[M+NH4]+ 254.98369 157.6
[M+K]+ 275.91303 141.5
[M+H-H2O]+ 219.94713 140.9
[M+HCOO]- 281.94807 154.8
[M+CH3COO]- 295.96372 175.2
[M+Na-2H]- 257.92454 147.1
[M]+ 236.94932 142.5
[M]- 236.95042 142.5
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.