CID 81429447

2,3-dichloro-5-iodobenzoic acid

Structural Information

Molecular Formula
C7H3Cl2IO2
SMILES
C1=C(C=C(C(=C1C(=O)O)Cl)Cl)I
InChI
InChI=1S/C7H3Cl2IO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)
InChIKey
ZSPHRPZDUPSOAB-UHFFFAOYSA-N
Compound name
2,3-dichloro-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.85547 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.86275 139.8
[M+Na]+ 338.84469 144.1
[M-H]- 314.84819 135.8
[M+NH4]+ 333.88929 155.1
[M+K]+ 354.81863 145.0
[M+H-H2O]+ 298.85273 133.5
[M+HCOO]- 360.85367 149.0
[M+CH3COO]- 374.86932 190.0
[M+Na-2H]- 336.83014 132.4
[M]+ 315.85492 140.4
[M]- 315.85602 140.4
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

No patent data available for this compound.