CID 5706471

4-fluorocinnamoyl chloride

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C1=CC(=CC=C1/C=C/C(=O)Cl)F
InChI
InChI=1S/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+
InChIKey
GLBIKPKWQDIQCJ-ZZXKWVIFSA-N
Compound name
(E)-3-(4-fluorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

184.00912 Da
Monoisotopic Mass

2.9
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

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Patent stripe

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