CID 6433596

Brn 2440490

Structural Information

Molecular Formula
C10H9ClO2
SMILES
COC1=CC=C(C=C1)/C(=C/C=O)/Cl
InChI
InChI=1S/C10H9ClO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-7H,1H3/b10-6-
InChIKey
ZDHOBXVUKIFNBV-POHAHGRESA-N
Compound name
(Z)-3-chloro-3-(4-methoxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

196.02911 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 137.8
[M+Na]+ 219.01833 147.0
[M-H]- 195.02183 141.6
[M+NH4]+ 214.06293 158.3
[M+K]+ 234.99227 143.1
[M+H-H2O]+ 179.02637 133.1
[M+HCOO]- 241.02731 157.4
[M+CH3COO]- 255.04296 181.7
[M+Na-2H]- 217.00378 143.2
[M]+ 196.02856 141.3
[M]- 196.02966 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe