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

97
Patents

215.07579 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.083066 144.7
[M+Na]+ 238.065008 150.8
[M-H]- 214.068514 143.8
[M+NH4]+ 233.109613 161.7
[M+K]+ 254.038948 148.4
[M+H-H2O]+ 198.073050 136.9
[M+HCOO]- 260.073991 163.3
[M+CH3COO]- 274.089641 188.4
[M+Na-2H]- 236.050456 145.3
[M]+ 215.07524142 139.6
[M]- 215.07633858 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