CID 45792410

5-chloro-2-(4-fluorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H8ClFO3
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)C(=O)O)F
InChI
InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKey
MTUBNWMHXHNBLO-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-fluorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

266.0146 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02188 151.5
[M+Na]+ 289.00382 161.6
[M-H]- 265.00732 156.3
[M+NH4]+ 284.04842 168.4
[M+K]+ 304.97776 156.5
[M+H-H2O]+ 249.01186 144.7
[M+HCOO]- 311.01280 169.0
[M+CH3COO]- 325.02845 192.5
[M+Na-2H]- 286.98927 155.4
[M]+ 266.01405 153.8
[M]- 266.01515 153.8
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