CID 2735572

2-bromo-5-iodobenzoic acid

Structural Information

Molecular Formula
C7H4BrIO2
SMILES
C1=CC(=C(C=C1I)C(=O)O)Br
InChI
InChI=1S/C7H4BrIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
QPKKBDSNZFSSOD-UHFFFAOYSA-N
Compound name
2-bromo-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

665
Patents

325.84393 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe