CID 220966

2-iodo-3-nitrobenzoic acid

Structural Information

Molecular Formula
C7H4INO4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])I)C(=O)O
InChI
InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
InChIKey
XWOGTRRVKVPJSP-UHFFFAOYSA-N
Compound name
2-iodo-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

292.91852 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.92580 150.2
[M+Na]+ 315.90774 151.0
[M-H]- 291.91124 146.2
[M+NH4]+ 310.95234 163.5
[M+K]+ 331.88168 151.5
[M+H-H2O]+ 275.91578 145.3
[M+HCOO]- 337.91672 169.0
[M+CH3COO]- 351.93237 181.7
[M+Na-2H]- 313.89319 144.0
[M]+ 292.91797 146.0
[M]- 292.91907 146.0
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