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]+ 185.016396 131.1
[M+Na]+ 206.998338 141.6
[M-H]- 183.001844 134.0
[M+NH4]+ 202.042943 152.3
[M+K]+ 222.972278 137.1
[M+H-H2O]+ 167.006380 126.1
[M+HCOO]- 229.007321 149.8
[M+CH3COO]- 243.022971 181.2
[M+Na-2H]- 204.983786 135.9
[M]+ 184.00857142 132.2
[M]- 184.00966858 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.