CID 24699412

2-amino-2-[4-(trifluoromethyl)phenyl]propanoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

233.06636 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 146.1
[M+Na]+ 256.05558 153.7
[M-H]- 232.05908 144.3
[M+NH4]+ 251.10018 162.7
[M+K]+ 272.02952 150.8
[M+H-H2O]+ 216.06362 138.5
[M+HCOO]- 278.06456 162.4
[M+CH3COO]- 292.08021 189.6
[M+Na-2H]- 254.04103 150.4
[M]+ 233.06581 139.8
[M]- 233.06691 139.8
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