CID 43753745

2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
CNC(C1=CC=CC=C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H10F3NO2/c1-14-8(9(15)16)6-4-2-3-5-7(6)10(11,12)13/h2-5,8,14H,1H3,(H,15,16)
InChIKey
MXHDCYQZOMUTHP-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 151.3
[M+Na]+ 256.05558 158.3
[M+NH4]+ 251.10018 155.7
[M+K]+ 272.02952 154.8
[M-H]- 232.05908 147.4
[M+Na-2H]- 254.04103 154.0
[M]+ 233.06581 150.7
[M]- 233.06691 150.7
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.