CID 55280071

2-hydroxy-5-nitrobenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.94987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95715 140.7
[M+Na]+ 259.93909 153.3
[M+NH4]+ 254.98369 147.8
[M+K]+ 275.91303 149.9
[M-H]- 235.94259 141.6
[M+Na-2H]- 257.92454 145.6
[M]+ 236.94932 143.3
[M]- 236.95042 143.3
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.