CID 302939

5-bromo-2-iodobenzoic acid

Structural Information

Molecular Formula
C7H4BrIO2
SMILES
C1=CC(=C(C=C1Br)C(=O)O)I
InChI
InChI=1S/C7H4BrIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
IGBNDUKRHPTOBP-UHFFFAOYSA-N
Compound name
5-bromo-2-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

325.84393 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.85121 145.5
[M+Na]+ 348.83315 150.8
[M-H]- 324.83665 144.3
[M+NH4]+ 343.87775 162.2
[M+K]+ 364.80709 145.9
[M+H-H2O]+ 308.84119 142.4
[M+HCOO]- 370.84213 161.2
[M+CH3COO]- 384.85778 190.6
[M+Na-2H]- 346.81860 140.5
[M]+ 325.84338 160.1
[M]- 325.84448 160.1
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