CID 71757768

1443981-14-3

Structural Information

Molecular Formula
C12H13F2NO4
SMILES
CN(C)C(=O)COC1=CC=CC=C1C(C(=O)O)(F)F
InChI
InChI=1S/C12H13F2NO4/c1-15(2)10(16)7-19-9-6-4-3-5-8(9)12(13,14)11(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey
VZLVQFXGPOEBTM-UHFFFAOYSA-N
Compound name
2-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08127 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08855 156.3
[M+Na]+ 296.07049 162.6
[M-H]- 272.07399 157.4
[M+NH4]+ 291.11509 172.0
[M+K]+ 312.04443 162.1
[M+H-H2O]+ 256.07853 148.3
[M+HCOO]- 318.07947 175.6
[M+CH3COO]- 332.09512 200.6
[M+Na-2H]- 294.05594 158.7
[M]+ 273.08072 156.5
[M]- 273.08182 156.5
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.