CID 165714909

Methyl2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]acetatehydrochloride

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]+ 268.03468 150.7
[M+Na]+ 290.01662 159.9
[M-H]- 266.02012 150.5
[M+NH4]+ 285.06122 167.9
[M+K]+ 305.99056 155.9
[M+H-H2O]+ 250.02466 143.5
[M+HCOO]- 312.02560 164.9
[M+CH3COO]- 326.04125 196.8
[M+Na-2H]- 288.00207 152.4
[M]+ 267.02685 148.9
[M]- 267.02795 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.