CID 138750735

1-(3-ethynyl-2-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula
C10H7FO
SMILES
CC(=O)C1=CC=CC(=C1F)C#C
InChI
InChI=1S/C10H7FO/c1-3-8-5-4-6-9(7(2)12)10(8)11/h1,4-6H,2H3
InChIKey
LKEWRCOXQAXLLT-UHFFFAOYSA-N
Compound name
1-(3-ethynyl-2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

162.0481 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05538 130.4
[M+Na]+ 185.03732 141.9
[M-H]- 161.04082 132.0
[M+NH4]+ 180.08192 149.3
[M+K]+ 201.01126 137.9
[M+H-H2O]+ 145.04536 118.7
[M+HCOO]- 207.04630 147.6
[M+CH3COO]- 221.06195 188.0
[M+Na-2H]- 183.02277 134.3
[M]+ 162.04755 124.5
[M]- 162.04865 124.5
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