CID 2759137

1-fluoro-3-(prop-2-en-1-yl)benzene

Structural Information

Molecular Formula
C9H9F
SMILES
C=CCC1=CC(=CC=C1)F
InChI
InChI=1S/C9H9F/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7H,1,4H2
InChIKey
YKMILTYKWQXCOC-UHFFFAOYSA-N
Compound name
1-fluoro-3-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

136.06883 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.076106 123.9
[M+Na]+ 159.058048 132.7
[M-H]- 135.061554 126.6
[M+NH4]+ 154.102653 146.1
[M+K]+ 175.031988 129.9
[M+H-H2O]+ 119.066090 118.0
[M+HCOO]- 181.067031 147.7
[M+CH3COO]- 195.082681 174.4
[M+Na-2H]- 157.043496 131.2
[M]+ 136.06828142 122.4
[M]- 136.06937858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe