CID 54918209

Methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate hydrochloride

Structural Information

Molecular Formula
C11H12F3NO2
SMILES
CNC(C1=CC=C(C=C1)C(F)(F)F)C(=O)OC
InChI
InChI=1S/C11H12F3NO2/c1-15-9(10(16)17-2)7-3-5-8(6-4-7)11(12,13)14/h3-6,9,15H,1-2H3
InChIKey
STMZNGHFDRDDTN-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08202 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.089296 150.8
[M+Na]+ 270.071238 157.8
[M-H]- 246.074744 150.5
[M+NH4]+ 265.115843 167.8
[M+K]+ 286.045178 155.9
[M+H-H2O]+ 230.079280 142.2
[M+HCOO]- 292.080221 169.6
[M+CH3COO]- 306.095871 195.5
[M+Na-2H]- 268.056686 153.9
[M]+ 247.08147142 147.7
[M]- 247.08256858 147.7
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.