CID 165714909

2825005-38-5

Structural Information

Molecular Formula
C10H9ClF3NO2
SMILES
COC(=O)C(C1=CC(=C(C=C1)Cl)C(F)(F)F)N
InChI
InChI=1S/C10H9ClF3NO2/c1-17-9(16)8(15)5-2-3-7(11)6(4-5)10(12,13)14/h2-4,8H,15H2,1H3
InChIKey
CXLOLEUNQLSSHR-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.034676 150.7
[M+Na]+ 290.016618 159.9
[M-H]- 266.020124 150.5
[M+NH4]+ 285.061223 167.9
[M+K]+ 305.990558 155.9
[M+H-H2O]+ 250.024660 143.5
[M+HCOO]- 312.025601 164.9
[M+CH3COO]- 326.041251 196.8
[M+Na-2H]- 288.002066 152.4
[M]+ 267.02685142 148.9
[M]- 267.02794858 148.9
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.