CID 135429930

Nsc620300

Structural Information

Molecular Formula
C13H9ClN4O7S
SMILES
C1=CC(=CC=C1S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)Cl
InChI
InChI=1S/C13H9ClN4O7S/c14-9-1-3-11(4-2-9)26(24,25)16-15-7-8-5-10(17(20)21)6-12(13(8)19)18(22)23/h1-7,16,19H/b15-7+
InChIKey
JKIYDWZHCWQBOP-VIZOYTHASA-N
Compound name
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

399.98804 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.99532 182.7
[M+Na]+ 422.97726 186.5
[M-H]- 398.98076 188.9
[M+NH4]+ 418.02186 191.1
[M+K]+ 438.95120 173.7
[M+H-H2O]+ 382.98530 183.7
[M+HCOO]- 444.98624 199.5
[M+CH3COO]- 459.00189 206.8
[M+Na-2H]- 420.96271 191.9
[M]+ 399.98749 182.5
[M]- 399.98859 182.5
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