CID 28431469

Methyl 2-{[(3,4-difluorophenyl)methyl]amino}acetate hydrochloride

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
COC(=O)CNCC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C10H11F2NO2/c1-15-10(14)6-13-5-7-2-3-8(11)9(12)4-7/h2-4,13H,5-6H2,1H3
InChIKey
QPDLYSHXQDSWJI-UHFFFAOYSA-N
Compound name
methyl 2-[(3,4-difluorophenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.07579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.083066 142.9
[M+Na]+ 238.065008 151.0
[M-H]- 214.068514 144.2
[M+NH4]+ 233.109613 161.5
[M+K]+ 254.038948 148.8
[M+H-H2O]+ 198.073050 134.9
[M+HCOO]- 260.073991 165.7
[M+CH3COO]- 274.089641 190.3
[M+Na-2H]- 236.050456 147.0
[M]+ 215.07524142 142.3
[M]- 215.07633858 142.3
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