CID 8706997

3-chloro-4-[(3-fluorophenyl)methoxy]benzoic acid

Structural Information

Molecular Formula
C14H10ClFO3
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C14H10ClFO3/c15-12-7-10(14(17)18)4-5-13(12)19-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18)
InChIKey
RIRZJNDLDRPHJF-UHFFFAOYSA-N
Compound name
3-chloro-4-[(3-fluorophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.03024 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03752 156.2
[M+Na]+ 303.01946 165.9
[M-H]- 279.02296 160.9
[M+NH4]+ 298.06406 172.5
[M+K]+ 318.99340 160.6
[M+H-H2O]+ 263.02750 149.2
[M+HCOO]- 325.02844 173.4
[M+CH3COO]- 339.04409 195.5
[M+Na-2H]- 301.00491 159.6
[M]+ 280.02969 158.9
[M]- 280.03079 158.9
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.