CID 13105460

32508-98-8

Structural Information

Molecular Formula
C16H14F3NO3
SMILES
C1=CC=C(C(=C1)C(=O)OCCO)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H14F3NO3/c17-16(18,19)11-4-3-5-12(10-11)20-14-7-2-1-6-13(14)15(22)23-9-8-21/h1-7,10,20-21H,8-9H2
InChIKey
QTAIVYIVAODSBA-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09988 170.9
[M+Na]+ 348.08182 177.6
[M-H]- 324.08532 172.3
[M+NH4]+ 343.12642 183.7
[M+K]+ 364.05576 173.2
[M+H-H2O]+ 308.08986 160.6
[M+HCOO]- 370.09080 189.1
[M+CH3COO]- 384.10645 206.2
[M+Na-2H]- 346.06727 174.1
[M]+ 325.09205 167.7
[M]- 325.09315 167.7
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.