CID 3001008

Nsc618121

Structural Information

Molecular Formula
C19H19ClO5
SMILES
COC1=C(C=C(C=C1)/C(=C(/C2=CC(=C(C=C2)OC)OC)\Cl)/C=O)OC
InChI
InChI=1S/C19H19ClO5/c1-22-15-7-5-12(9-17(15)24-3)14(11-21)19(20)13-6-8-16(23-2)18(10-13)25-4/h5-11H,1-4H3/b19-14-
InChIKey
WFAINMQUZRDRQU-RGEXLXHISA-N
Compound name
(E)-3-chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.0921 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09938 180.0
[M+Na]+ 385.08132 188.5
[M-H]- 361.08482 187.1
[M+NH4]+ 380.12592 193.7
[M+K]+ 401.05526 184.9
[M+H-H2O]+ 345.08936 172.7
[M+HCOO]- 407.09030 197.7
[M+CH3COO]- 421.10595 215.0
[M+Na-2H]- 383.06677 180.1
[M]+ 362.09155 189.3
[M]- 362.09265 189.3
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

patents stripe