CID 5899053

18365-42-9

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1=CC=C(C=C1)/C=C(/C=O)\Cl
InChI
InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChIKey
SARRRAKOHPKFBW-TWGQIWQCSA-N
Compound name
(Z)-2-chloro-3-phenylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

166.01854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 131.6
[M+Na]+ 189.00776 145.8
[M+NH4]+ 184.05236 141.0
[M+K]+ 204.98170 138.0
[M-H]- 165.01126 133.9
[M+Na-2H]- 186.99321 139.6
[M]+ 166.01799 134.6
[M]- 166.01909 134.6
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

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