CID 5709447

55338-97-1

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C1=CC(=CC=C1/C(=C/C=O)/Cl)F
InChI
InChI=1S/C9H6ClFO/c10-9(5-6-12)7-1-3-8(11)4-2-7/h1-6H/b9-5-
InChIKey
PMRMSGNJEJXYGD-UITAMQMPSA-N
Compound name
(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.00912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01640 134.1
[M+Na]+ 206.99834 147.5
[M+NH4]+ 202.04294 142.5
[M+K]+ 222.97228 140.1
[M-H]- 183.00184 134.8
[M+Na-2H]- 204.98379 141.0
[M]+ 184.00857 136.4
[M]- 184.00967 136.4
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