CID 63077849

Methyl 2-(methylamino)-2-(3,4,5-trifluorophenyl)acetate

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
CNC(C1=CC(=C(C(=C1)F)F)F)C(=O)OC
InChI
InChI=1S/C10H10F3NO2/c1-14-9(10(15)16-2)5-3-6(11)8(13)7(12)4-5/h3-4,9,14H,1-2H3
InChIKey
KEOQOJFJNWHXQN-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)-2-(3,4,5-trifluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.073636 145.4
[M+Na]+ 256.055578 154.2
[M-H]- 232.059084 145.7
[M+NH4]+ 251.100183 163.4
[M+K]+ 272.029518 152.1
[M+H-H2O]+ 216.063620 136.8
[M+HCOO]- 278.064561 166.0
[M+CH3COO]- 292.080211 195.2
[M+Na-2H]- 254.041026 146.9
[M]+ 233.06581142 143.3
[M]- 233.06690858 143.3
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.