CID 51059998

882864-26-8

Structural Information

Molecular Formula
C17H17ClO4
SMILES
CC(C)OC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C17H17ClO4/c1-11(2)22-14-6-3-12(4-7-14)10-21-16-8-5-13(17(19)20)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKey
VRUFKQUHBMLDFJ-UHFFFAOYSA-N
Compound name
3-chloro-4-[(4-propan-2-yloxyphenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08154 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08882 170.0
[M+Na]+ 343.07076 177.9
[M-H]- 319.07426 175.6
[M+NH4]+ 338.11536 184.6
[M+K]+ 359.04470 173.6
[M+H-H2O]+ 303.07880 163.4
[M+HCOO]- 365.07974 186.5
[M+CH3COO]- 379.09539 204.8
[M+Na-2H]- 341.05621 171.2
[M]+ 320.08099 175.6
[M]- 320.08209 175.6
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

No patent data available for this compound.