CID 52343

73747-24-7

Structural Information

Molecular Formula
C13H14F3NO3
SMILES
COC(=O)CCCC1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI
InChI=1S/C13H14F3NO3/c1-20-11(18)4-2-3-9-5-7-10(8-6-9)17-12(19)13(14,15)16/h5-8H,2-4H2,1H3,(H,17,19)
InChIKey
PTVYRPUPPYROIW-UHFFFAOYSA-N
Compound name
methyl 4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0926 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09988 162.0
[M+Na]+ 312.08182 168.4
[M-H]- 288.08532 161.4
[M+NH4]+ 307.12642 177.2
[M+K]+ 328.05576 166.0
[M+H-H2O]+ 272.08986 152.8
[M+HCOO]- 334.09080 180.5
[M+CH3COO]- 348.10645 202.0
[M+Na-2H]- 310.06727 164.2
[M]+ 289.09205 160.3
[M]- 289.09315 160.3
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.