CID 20977297

5-chloro-2-methoxy-3-methylbenzoic acid

Structural Information

Molecular Formula
C9H9ClO3
SMILES
CC1=CC(=CC(=C1OC)C(=O)O)Cl
InChI
InChI=1S/C9H9ClO3/c1-5-3-6(10)4-7(9(11)12)8(5)13-2/h3-4H,1-2H3,(H,11,12)
InChIKey
HJDWCCOAKNMCDF-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

200.02402 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 135.9
[M+Na]+ 223.01324 146.4
[M-H]- 199.01674 139.2
[M+NH4]+ 218.05784 156.0
[M+K]+ 238.98718 143.2
[M+H-H2O]+ 183.02128 132.0
[M+HCOO]- 245.02222 154.4
[M+CH3COO]- 259.03787 182.1
[M+Na-2H]- 220.99869 140.1
[M]+ 200.02347 140.2
[M]- 200.02457 140.2
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