CID 123056

394-46-7

Structural Information

Molecular Formula
C8H7F
SMILES
C=CC1=CC=CC=C1F
InChI
InChI=1S/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
YNQXOOPPJWSXMW-UHFFFAOYSA-N
Compound name
1-ethenyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5167
Patents

122.05318 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06046 119.2
[M+Na]+ 145.04240 128.4
[M-H]- 121.04590 122.0
[M+NH4]+ 140.08700 141.9
[M+K]+ 161.01634 125.9
[M+H-H2O]+ 105.05044 113.5
[M+HCOO]- 167.05138 143.3
[M+CH3COO]- 181.06703 171.4
[M+Na-2H]- 143.02785 127.0
[M]+ 122.05263 117.3
[M]- 122.05373 117.3
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