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]+ 234.073636 146.1
[M+Na]+ 256.055578 153.1
[M-H]- 232.059084 144.6
[M+NH4]+ 251.100183 162.9
[M+K]+ 272.029518 150.5
[M+H-H2O]+ 216.063620 138.0
[M+HCOO]- 278.064561 163.7
[M+CH3COO]- 292.080211 190.6
[M+Na-2H]- 254.041026 149.3
[M]+ 233.06581142 140.8
[M]- 233.06690858 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.