CID 11974266

N'-isopropylidene-2-nitrobenzenesulfonohydrazide

Structural Information

Molecular Formula
C9H11N3O4S
SMILES
CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
InChI
InChI=1S/C9H11N3O4S/c1-7(2)10-11-17(15,16)9-6-4-3-5-8(9)12(13)14/h3-6,11H,1-2H3
InChIKey
SBNYNTYNEJTMQO-UHFFFAOYSA-N
Compound name
2-nitro-N-(propan-2-ylideneamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

257.04703 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05431 150.6
[M+Na]+ 280.03625 156.4
[M-H]- 256.03975 155.6
[M+NH4]+ 275.08085 166.6
[M+K]+ 296.01019 150.2
[M+H-H2O]+ 240.04429 148.0
[M+HCOO]- 302.04523 172.4
[M+CH3COO]- 316.06088 191.3
[M+Na-2H]- 278.02170 157.8
[M]+ 257.04648 150.7
[M]- 257.04758 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe