CID 20254938

5-bromo-4-chloro-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
COC1=CC(=C(C=C1C(=O)O)Br)Cl
InChI
InChI=1S/C8H6BrClO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
DLTGYPSSHXBNQG-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

263.91888 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.926156 140.8
[M+Na]+ 286.908098 154.7
[M-H]- 262.911604 146.7
[M+NH4]+ 281.952703 161.9
[M+K]+ 302.882038 142.4
[M+H-H2O]+ 246.916140 142.3
[M+HCOO]- 308.917081 157.2
[M+CH3COO]- 322.932731 189.2
[M+Na-2H]- 284.893546 146.6
[M]+ 263.91833142 162.9
[M]- 263.91942858 162.9
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