CID 327084

Methyl 4-chloro-2-methoxybenzoate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=C(C=CC(=C1)Cl)C(=O)OC
InChI
InChI=1S/C9H9ClO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey
UTEXPQWKBMXWJD-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

200.02402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 136.3
[M+Na]+ 223.013238 146.4
[M-H]- 199.016744 140.7
[M+NH4]+ 218.057843 156.9
[M+K]+ 238.987178 144.1
[M+H-H2O]+ 183.021280 131.8
[M+HCOO]- 245.022221 156.3
[M+CH3COO]- 259.037871 182.8
[M+Na-2H]- 220.998686 141.7
[M]+ 200.02347142 142.0
[M]- 200.02456858 142.0
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