CID 62946568

2-chloro-4-(2-methoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C10H11ClO4
SMILES
COCCOC1=CC(=C(C=C1)C(=O)O)Cl
InChI
InChI=1S/C10H11ClO4/c1-14-4-5-15-7-2-3-8(10(12)13)9(11)6-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
GURLZSNSNPEKIL-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-methoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03459 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04187 144.1
[M+Na]+ 253.02381 153.2
[M-H]- 229.02731 146.8
[M+NH4]+ 248.06841 162.6
[M+K]+ 268.99775 150.2
[M+H-H2O]+ 213.03185 139.4
[M+HCOO]- 275.03279 162.5
[M+CH3COO]- 289.04844 186.0
[M+Na-2H]- 251.00926 148.5
[M]+ 230.03404 149.8
[M]- 230.03514 149.8
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