CID 6365139

138555-57-4

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1=CC=C(C(=C1)/C=C/C=O)Cl
InChI
InChI=1S/C9H7ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
InChIKey
HGBCDXOKFIDHNS-HWKANZROSA-N
Compound name
(E)-3-(2-chlorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

277
Patents

166.01854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 130.1
[M+Na]+ 189.00776 140.0
[M-H]- 165.01126 133.9
[M+NH4]+ 184.05236 151.8
[M+K]+ 204.98170 135.4
[M+H-H2O]+ 149.01580 125.7
[M+HCOO]- 211.01674 150.8
[M+CH3COO]- 225.03239 175.9
[M+Na-2H]- 186.99321 137.3
[M]+ 166.01799 132.3
[M]- 166.01909 132.3
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