CID 135429934

Nsc620304

Structural Information

Molecular Formula
C13H9ClIN3O5S
SMILES
C1=CC(=CC=C1S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)I)[N+](=O)[O-])O)Cl
InChI
InChI=1S/C13H9ClIN3O5S/c14-9-1-3-11(4-2-9)24(22,23)17-16-7-8-5-10(15)6-12(13(8)19)18(20)21/h1-7,17,19H/b16-7+
InChIKey
LCZSKHLJRWMJIU-FRKPEAEDSA-N
Compound name
4-chloro-N-[(E)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

480.89963 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.90691 198.8
[M+Na]+ 503.88885 198.6
[M-H]- 479.89235 198.5
[M+NH4]+ 498.93345 205.6
[M+K]+ 519.86279 195.0
[M+H-H2O]+ 463.89689 191.9
[M+HCOO]- 525.89783 210.3
[M+CH3COO]- 539.91348 215.2
[M+Na-2H]- 501.87430 192.3
[M]+ 480.89908 198.2
[M]- 480.90018 198.2
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