CID 900812

3-chloro-4-ethoxy-5-methoxybenzoic acid

Structural Information

Molecular Formula
C10H11ClO4
SMILES
CCOC1=C(C=C(C=C1Cl)C(=O)O)OC
InChI
InChI=1S/C10H11ClO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKey
JVMOVETVCDRYIV-UHFFFAOYSA-N
Compound name
3-chloro-4-ethoxy-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

230.03459 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04187 143.3
[M+Na]+ 253.02381 153.3
[M-H]- 229.02731 146.4
[M+NH4]+ 248.06841 162.2
[M+K]+ 268.99775 150.4
[M+H-H2O]+ 213.03185 139.0
[M+HCOO]- 275.03279 161.7
[M+CH3COO]- 289.04844 187.2
[M+Na-2H]- 251.00926 147.0
[M]+ 230.03404 149.4
[M]- 230.03514 149.4
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