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]+ 237.957146 140.2
[M+Na]+ 259.939088 149.3
[M-H]- 235.942594 143.5
[M+NH4]+ 254.983693 157.6
[M+K]+ 275.913028 141.5
[M+H-H2O]+ 219.947130 140.9
[M+HCOO]- 281.948071 154.8
[M+CH3COO]- 295.963721 175.2
[M+Na-2H]- 257.924536 147.1
[M]+ 236.94932142 142.5
[M]- 236.95041858 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.