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 144.6
[M+Na]+ 253.02381 157.6
[M+NH4]+ 248.06841 151.9
[M+K]+ 268.99775 152.3
[M-H]- 229.02731 145.2
[M+Na-2H]- 251.00926 149.8
[M]+ 230.03404 146.8
[M]- 230.03514 146.8
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