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]+ 262.062936 159.7
[M+Na]+ 284.044878 168.5
[M-H]- 260.048384 167.4
[M+NH4]+ 279.089483 177.6
[M+K]+ 300.018818 164.1
[M+H-H2O]+ 244.052920 153.7
[M+HCOO]- 306.053861 180.2
[M+CH3COO]- 320.069511 194.7
[M+Na-2H]- 282.030326 163.2
[M]+ 261.05511142 163.1
[M]- 261.05620858 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.