CID 6432396

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

Structural Information

Molecular Formula
C9H9F
SMILES
CC(=C)C1=CC(=CC=C1)F
InChI
InChI=1S/C9H9F/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3
InChIKey
RSKZYVKOUASPDU-UHFFFAOYSA-N
Compound name
1-fluoro-3-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

136.06883 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.076106 124.1
[M+Na]+ 159.058048 132.6
[M-H]- 135.061554 126.8
[M+NH4]+ 154.102653 146.2
[M+K]+ 175.031988 130.3
[M+H-H2O]+ 119.066090 118.3
[M+HCOO]- 181.067031 146.9
[M+CH3COO]- 195.082681 175.2
[M+Na-2H]- 157.043496 130.1
[M]+ 136.06828142 122.0
[M]- 136.06937858 122.0
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