CID 13498831

Methyl 2-chloro-4-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 137.1
[M+Na]+ 223.01324 151.0
[M+NH4]+ 218.05784 145.5
[M+K]+ 238.98718 144.8
[M-H]- 199.01674 138.7
[M+Na-2H]- 220.99869 143.9
[M]+ 200.02347 139.8
[M]- 200.02457 139.8
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