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]+ 216.083066 142.9
[M+Na]+ 238.065008 150.4
[M-H]- 214.068514 144.4
[M+NH4]+ 233.109613 161.3
[M+K]+ 254.038948 149.3
[M+H-H2O]+ 198.073050 135.2
[M+HCOO]- 260.073991 163.7
[M+CH3COO]- 274.089641 192.8
[M+Na-2H]- 236.050456 144.5
[M]+ 215.07524142 141.1
[M]- 215.07633858 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.