CID 22597728

3-chloro-4-isopropoxybenzoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC(C)OC1=C(C=C(C=C1)C(=O)O)Cl
InChI
InChI=1S/C10H11ClO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13)
InChIKey
QXSPLPLQLJAPSM-UHFFFAOYSA-N
Compound name
3-chloro-4-propan-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

214.03967 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.2
[M+Na]+ 237.02889 155.0
[M+NH4]+ 232.07349 150.0
[M+K]+ 253.00283 149.7
[M-H]- 213.03239 143.0
[M+Na-2H]- 235.01434 147.7
[M]+ 214.03912 144.4
[M]- 214.04022 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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