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

7
Patents

233.06636 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 146.6
[M+Na]+ 256.05558 154.1
[M-H]- 232.05908 146.0
[M+NH4]+ 251.10018 163.9
[M+K]+ 272.02952 152.1
[M+H-H2O]+ 216.06362 138.2
[M+HCOO]- 278.06456 165.1
[M+CH3COO]- 292.08021 191.8
[M+Na-2H]- 254.04103 149.2
[M]+ 233.06581 142.1
[M]- 233.06691 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