CID 83950254

1-(2-chloro-6-fluorophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C=CC(=O)C1=C(C=CC=C1Cl)F
InChI
InChI=1S/C9H6ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h2-5H,1H2
InChIKey
CALBQFHYIUARAE-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.1
[M+Na]+ 206.99834 141.6
[M-H]- 183.00184 134.0
[M+NH4]+ 202.04294 152.3
[M+K]+ 222.97228 137.1
[M+H-H2O]+ 167.00638 126.1
[M+HCOO]- 229.00732 149.8
[M+CH3COO]- 243.02297 181.2
[M+Na-2H]- 204.98379 135.9
[M]+ 184.00857 132.2
[M]- 184.00967 132.2
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

No patent data available for this compound.