CID 82692

4'-iodo-3-nitrosalicylanilide

Structural Information

Molecular Formula
C13H9IN2O4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H9IN2O4/c14-8-4-6-9(7-5-8)15-13(18)10-2-1-3-11(12(10)17)16(19)20/h1-7,17H,(H,15,18)
InChIKey
TXGONIKXFWSNOU-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(4-iodophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

383.9607 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.96798 177.4
[M+Na]+ 406.94992 176.4
[M-H]- 382.95342 175.9
[M+NH4]+ 401.99452 186.4
[M+K]+ 422.92386 175.1
[M+H-H2O]+ 366.95796 170.1
[M+HCOO]- 428.95890 196.2
[M+CH3COO]- 442.97455 200.1
[M+Na-2H]- 404.93537 170.4
[M]+ 383.96015 172.1
[M]- 383.96125 172.1
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