CID 6375932

883035-24-3

Structural Information

Molecular Formula
C11H9F2NO3
SMILES
CC(=O)N/C(=C/C1=CC(=CC(=C1)F)F)/C(=O)O
InChI
InChI=1S/C11H9F2NO3/c1-6(15)14-10(11(16)17)4-7-2-8(12)5-9(13)3-7/h2-5H,1H3,(H,14,15)(H,16,17)/b10-4+
InChIKey
DHOMOKKAUSLKGQ-ONNFQVAWSA-N
Compound name
(E)-2-acetamido-3-(3,5-difluorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05505 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.062326 148.6
[M+Na]+ 264.044268 155.9
[M-H]- 240.047774 148.6
[M+NH4]+ 259.088873 165.1
[M+K]+ 280.018208 153.0
[M+H-H2O]+ 224.052310 140.9
[M+HCOO]- 286.053251 168.2
[M+CH3COO]- 300.068901 192.4
[M+Na-2H]- 262.029716 149.3
[M]+ 241.05450142 145.2
[M]- 241.05559858 145.2
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.