CID 66545221

91319-50-5

Structural Information

Molecular Formula
C11H10FNO4
SMILES
CCOC(=O)/C=C/C1=C(C=CC(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C11H10FNO4/c1-2-17-11(14)6-3-8-7-9(13(15)16)4-5-10(8)12/h3-7H,2H2,1H3/b6-3+
InChIKey
MIOPWTLOGXFJHE-ZZXKWVIFSA-N
Compound name
ethyl (E)-3-(2-fluoro-5-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.05939 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06667 149.0
[M+Na]+ 262.04861 156.6
[M-H]- 238.05211 151.6
[M+NH4]+ 257.09321 166.0
[M+K]+ 278.02255 150.4
[M+H-H2O]+ 222.05665 146.6
[M+HCOO]- 284.05759 172.9
[M+CH3COO]- 298.07324 185.1
[M+Na-2H]- 260.03406 153.9
[M]+ 239.05884 148.8
[M]- 239.05994 148.8
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

patents stripe