CID 2671403

N-(3-chloro-2-methylphenyl)-3-(3-fluorophenyl)-2-propenamide

Structural Information

Molecular Formula
C16H13ClFNO
SMILES
CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C16H13ClFNO/c1-11-14(17)6-3-7-15(11)19-16(20)9-8-12-4-2-5-13(18)10-12/h2-10H,1H3,(H,19,20)/b9-8+
InChIKey
UZHVQEFGTMLMDS-CMDGGOBGSA-N
Compound name
(E)-N-(3-chloro-2-methylphenyl)-3-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06696 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07424 163.8
[M+Na]+ 312.05618 172.9
[M-H]- 288.05968 169.4
[M+NH4]+ 307.10078 180.3
[M+K]+ 328.03012 166.0
[M+H-H2O]+ 272.06422 156.3
[M+HCOO]- 334.06516 182.6
[M+CH3COO]- 348.08081 202.6
[M+Na-2H]- 310.04163 166.7
[M]+ 289.06641 164.6
[M]- 289.06751 164.6
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.