CID 66780

96-59-3

Structural Information

Molecular Formula
C9H11ClN2O4S
SMILES
CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H11ClN2O4S/c1-6(2)11-17(15,16)7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3
InChIKey
KFKCKBPFUJOIQG-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

278.01282 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02010 154.2
[M+Na]+ 301.00204 161.3
[M-H]- 277.00554 158.2
[M+NH4]+ 296.04664 170.2
[M+K]+ 316.97598 153.5
[M+H-H2O]+ 261.01008 153.8
[M+HCOO]- 323.01102 168.9
[M+CH3COO]- 337.02667 190.4
[M+Na-2H]- 298.98749 159.3
[M]+ 278.01227 156.5
[M]- 278.01337 156.5
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

patents stripe