CID 76750

2-chloro-6-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=C(C(=CC=C1)Cl)C(=O)O
InChI
InChI=1S/C8H7ClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
JUOHBAJZQDTICO-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

186.00838 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 132.0
[M+Na]+ 208.99760 142.1
[M-H]- 185.00110 135.1
[M+NH4]+ 204.04220 152.4
[M+K]+ 224.97154 139.0
[M+H-H2O]+ 169.00564 128.0
[M+HCOO]- 231.00658 150.9
[M+CH3COO]- 245.02223 177.9
[M+Na-2H]- 206.98305 137.4
[M]+ 186.00783 135.5
[M]- 186.00893 135.5
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