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

159
Patents

200.02402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 136.3
[M+Na]+ 223.01324 146.4
[M-H]- 199.01674 140.7
[M+NH4]+ 218.05784 156.9
[M+K]+ 238.98718 144.1
[M+H-H2O]+ 183.02128 131.8
[M+HCOO]- 245.02222 156.3
[M+CH3COO]- 259.03787 182.8
[M+Na-2H]- 220.99869 141.7
[M]+ 200.02347 142.0
[M]- 200.02457 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