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 146.1
[M+Na]+ 256.05558 153.1
[M-H]- 232.05908 144.6
[M+NH4]+ 251.10018 162.9
[M+K]+ 272.02952 150.5
[M+H-H2O]+ 216.06362 138.0
[M+HCOO]- 278.06456 163.7
[M+CH3COO]- 292.08021 190.6
[M+Na-2H]- 254.04103 149.3
[M]+ 233.06581 140.8
[M]- 233.06691 140.8
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.