CID 104098

Methyl 3-chloro-2-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

84
Patents

186.00838 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 132.2
[M+Na]+ 208.997598 142.4
[M-H]- 185.001104 135.4
[M+NH4]+ 204.042203 152.7
[M+K]+ 224.971538 139.3
[M+H-H2O]+ 169.005640 128.3
[M+HCOO]- 231.006581 151.1
[M+CH3COO]- 245.022231 177.2
[M+Na-2H]- 206.983046 137.6
[M]+ 186.00783142 135.7
[M]- 186.00892858 135.7
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