CID 79016047

2-amino-3-(4-(difluoromethyl)phenyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)C(F)F
InChI
InChI=1S/C10H11F2NO2/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8-9H,5,13H2,(H,14,15)
InChIKey
WAAULDXYXPJAKD-UHFFFAOYSA-N
Compound name
2-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

215.07579 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08307 144.7
[M+Na]+ 238.06501 150.8
[M-H]- 214.06851 143.8
[M+NH4]+ 233.10961 161.7
[M+K]+ 254.03895 148.4
[M+H-H2O]+ 198.07305 136.9
[M+HCOO]- 260.07399 163.3
[M+CH3COO]- 274.08964 188.4
[M+Na-2H]- 236.05046 145.3
[M]+ 215.07524 139.6
[M]- 215.07634 139.6
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