CID 88624

2-amino-5-nitrobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H5ClN2O4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)Cl)N
InChI
InChI=1S/C6H5ClN2O4S/c7-14(12,13)6-3-4(9(10)11)1-2-5(6)8/h1-3H,8H2
InChIKey
GIYARLIXINTLTK-UHFFFAOYSA-N
Compound name
2-amino-5-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.96585 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97313 141.5
[M+Na]+ 258.95507 150.3
[M-H]- 234.95857 145.4
[M+NH4]+ 253.99967 159.1
[M+K]+ 274.92901 142.2
[M+H-H2O]+ 218.96311 141.6
[M+HCOO]- 280.96405 157.6
[M+CH3COO]- 294.97970 179.9
[M+Na-2H]- 256.94052 148.0
[M]+ 235.96530 142.4
[M]- 235.96640 142.4
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