CID 4350239

5-chloro-2-propoxybenzoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CCCOC1=C(C=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H11ClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKey
GOGHQODAPOZTFG-UHFFFAOYSA-N
Compound name
5-chloro-2-propoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

214.03967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.2
[M+Na]+ 237.02889 155.3
[M+NH4]+ 232.07349 150.1
[M+K]+ 253.00283 149.2
[M-H]- 213.03239 143.2
[M+Na-2H]- 235.01434 148.0
[M]+ 214.03912 144.5
[M]- 214.04022 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe