CID 2760721

408366-18-7

Structural Information

Molecular Formula
C14H9F3O3
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C14H9F3O3/c15-14(16,17)20-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
InChIKey
JPLHXHHURMRLGR-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

282.05038 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05766 157.5
[M+Na]+ 305.03960 166.1
[M-H]- 281.04310 159.5
[M+NH4]+ 300.08420 172.5
[M+K]+ 321.01354 162.0
[M+H-H2O]+ 265.04764 148.1
[M+HCOO]- 327.04858 175.4
[M+CH3COO]- 341.06423 195.8
[M+Na-2H]- 303.02505 161.5
[M]+ 282.04983 154.5
[M]- 282.05093 154.5
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