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]+ 216.08307 142.9
[M+Na]+ 238.06501 151.0
[M-H]- 214.06851 144.2
[M+NH4]+ 233.10961 161.5
[M+K]+ 254.03895 148.8
[M+H-H2O]+ 198.07305 134.9
[M+HCOO]- 260.07399 165.7
[M+CH3COO]- 274.08964 190.3
[M+Na-2H]- 236.05046 147.0
[M]+ 215.07524 142.3
[M]- 215.07634 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