CID 4350238

5-chloro-2-(propan-2-yloxy)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.03967 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 141.1
[M+Na]+ 237.02889 150.0
[M-H]- 213.03239 143.9
[M+NH4]+ 232.07349 160.3
[M+K]+ 253.00283 147.0
[M+H-H2O]+ 197.03693 136.9
[M+HCOO]- 259.03787 158.3
[M+CH3COO]- 273.05352 184.8
[M+Na-2H]- 235.01434 144.2
[M]+ 214.03912 144.8
[M]- 214.04022 144.8
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