CID 45051324

3-(2-chloro-3-methoxyphenyl)-n-(4-fluorophenyl)-2-propenamide

Structural Information

Molecular Formula
C16H13ClFNO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C16H13ClFNO2/c1-21-14-4-2-3-11(16(14)17)5-10-15(20)19-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,20)/b10-5+
InChIKey
SEFGWNVJXIONBW-BJMVGYQFSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0619 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06918 166.9
[M+Na]+ 328.05112 175.8
[M-H]- 304.05462 172.5
[M+NH4]+ 323.09572 182.6
[M+K]+ 344.02506 169.5
[M+H-H2O]+ 288.05916 159.1
[M+HCOO]- 350.06010 185.9
[M+CH3COO]- 364.07575 204.7
[M+Na-2H]- 326.03657 169.8
[M]+ 305.06135 169.1
[M]- 305.06245 169.1
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.