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
3
Annotation Hits

0
References

13
Patents

278.01282 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.020096 154.2
[M+Na]+ 301.002038 161.3
[M-H]- 277.005544 158.2
[M+NH4]+ 296.046643 170.2
[M+K]+ 316.975978 153.5
[M+H-H2O]+ 261.010080 153.8
[M+HCOO]- 323.011021 168.9
[M+CH3COO]- 337.026671 190.4
[M+Na-2H]- 298.987486 159.3
[M]+ 278.01227142 156.5
[M]- 278.01336858 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