CID 122362

Benzamide, 2-hydroxy-n-(3-iodophenyl)-3-nitro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe