CID 43803172

2-(2,6-difluorophenyl)-2-(dimethylamino)acetic acid hydrochloride

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
CN(C)C(C1=C(C=CC=C1F)F)C(=O)O
InChI
InChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)8-6(11)4-3-5-7(8)12/h3-5,9H,1-2H3,(H,14,15)
InChIKey
JZGLXYSGNXGPCJ-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-2-(dimethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07579 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08307 142.9
[M+Na]+ 238.06501 150.4
[M-H]- 214.06851 144.4
[M+NH4]+ 233.10961 161.3
[M+K]+ 254.03895 149.3
[M+H-H2O]+ 198.07305 135.2
[M+HCOO]- 260.07399 163.7
[M+CH3COO]- 274.08964 192.8
[M+Na-2H]- 236.05046 144.5
[M]+ 215.07524 141.1
[M]- 215.07634 141.1
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

No patent data available for this compound.