CID 135429935

Nsc620305

Structural Information

Molecular Formula
C13H9FIN3O5S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)I)[N+](=O)[O-])O
InChI
InChI=1S/C13H9FIN3O5S/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
LDGIDXLZLYALTH-FRKPEAEDSA-N
Compound name
4-fluoro-N-[(E)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

464.92917 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.93645 194.5
[M+Na]+ 487.91839 194.0
[M-H]- 463.92189 192.9
[M+NH4]+ 482.96299 201.0
[M+K]+ 503.89233 191.1
[M+H-H2O]+ 447.92643 185.5
[M+HCOO]- 509.92737 209.1
[M+CH3COO]- 523.94302 214.3
[M+Na-2H]- 485.90384 187.9
[M]+ 464.92862 190.7
[M]- 464.92972 190.7
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