CID 963823

853349-54-9

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=CO2
InChI
InChI=1S/C14H12ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2-9H,1H3,(H,16,17)/b8-7+
InChIKey
ANNGIRUYTHDFCF-BQYQJAHWSA-N
Compound name
(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 159.7
[M+Na]+ 284.04488 168.5
[M-H]- 260.04838 167.4
[M+NH4]+ 279.08948 177.6
[M+K]+ 300.01882 164.1
[M+H-H2O]+ 244.05292 153.7
[M+HCOO]- 306.05386 180.2
[M+CH3COO]- 320.06951 194.7
[M+Na-2H]- 282.03033 163.2
[M]+ 261.05511 163.1
[M]- 261.05621 163.1
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.