CID 50988555

Methyl 2-amino-2-[2-(trifluoromethyl)phenyl]acetate hydrochloride

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
COC(=O)C(C1=CC=CC=C1C(F)(F)F)N
InChI
InChI=1S/C10H10F3NO2/c1-16-9(15)8(14)6-4-2-3-5-7(6)10(11,12)13/h2-5,8H,14H2,1H3
InChIKey
DEKGFKIMYNPOMH-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[2-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.06636 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.073636 146.6
[M+Na]+ 256.055578 154.1
[M-H]- 232.059084 146.0
[M+NH4]+ 251.100183 163.9
[M+K]+ 272.029518 152.1
[M+H-H2O]+ 216.063620 138.2
[M+HCOO]- 278.064561 165.1
[M+CH3COO]- 292.080211 191.8
[M+Na-2H]- 254.041026 149.2
[M]+ 233.06581142 142.1
[M]- 233.06690858 142.1
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

patents stripe