CID 63896435

Methyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.06636 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 151.6
[M+Na]+ 256.05558 158.8
[M+NH4]+ 251.10018 156.1
[M+K]+ 272.02952 155.2
[M-H]- 232.05908 147.9
[M+Na-2H]- 254.04103 154.3
[M]+ 233.06581 151.1
[M]- 233.06691 151.1
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