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

29
Patents

282.05038 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.057656 157.5
[M+Na]+ 305.039598 166.1
[M-H]- 281.043104 159.5
[M+NH4]+ 300.084203 172.5
[M+K]+ 321.013538 162.0
[M+H-H2O]+ 265.047640 148.1
[M+HCOO]- 327.048581 175.4
[M+CH3COO]- 341.064231 195.8
[M+Na-2H]- 303.025046 161.5
[M]+ 282.04983142 154.5
[M]- 282.05092858 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