CID 292572

Ethyl 3-(4-fluoroanilino)crotonate

Structural Information

Molecular Formula
C12H14FNO2
SMILES
CCOC(=O)C=C(C)NC1=CC=C(C=C1)F
InChI
InChI=1S/C12H14FNO2/c1-3-16-12(15)8-9(2)14-11-6-4-10(13)5-7-11/h4-8,14H,3H2,1-2H3
InChIKey
BUDOLSNUNUYBLF-UHFFFAOYSA-N
Compound name
ethyl 3-(4-fluoroanilino)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10086 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 149.2
[M+Na]+ 246.09008 155.6
[M-H]- 222.09358 151.3
[M+NH4]+ 241.13468 167.2
[M+K]+ 262.06402 153.3
[M+H-H2O]+ 206.09812 141.8
[M+HCOO]- 268.09906 171.6
[M+CH3COO]- 282.11471 191.7
[M+Na-2H]- 244.07553 152.3
[M]+ 223.10031 148.7
[M]- 223.10141 148.7
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.