CID 43656946

2229137-64-6

Structural Information

Molecular Formula
C10H9FN2O2
SMILES
CN(CC(=O)O)C1=C(C=C(C=C1)C#N)F
InChI
InChI=1S/C10H9FN2O2/c1-13(6-10(14)15)9-3-2-7(5-12)4-8(9)11/h2-4H,6H2,1H3,(H,14,15)
InChIKey
PJNIENBCAVENBG-UHFFFAOYSA-N
Compound name
2-(4-cyano-2-fluoro-N-methylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07208 143.6
[M+Na]+ 231.05402 153.0
[M-H]- 207.05752 145.9
[M+NH4]+ 226.09862 160.3
[M+K]+ 247.02796 151.1
[M+H-H2O]+ 191.06206 130.2
[M+HCOO]- 253.06300 162.8
[M+CH3COO]- 267.07865 201.7
[M+Na-2H]- 229.03947 146.7
[M]+ 208.06425 138.4
[M]- 208.06535 138.4
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.