CID 3011495

(1-fluoroethenyl)benzene

Structural Information

Molecular Formula
C8H7F
SMILES
C=C(C1=CC=CC=C1)F
InChI
InChI=1S/C8H7F/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKey
DAEXAGHVEUWODX-UHFFFAOYSA-N
Compound name
1-fluoroethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

947
Patents

122.05318 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.060456 120.3
[M+Na]+ 145.042398 128.2
[M-H]- 121.045904 122.8
[M+NH4]+ 140.087003 142.6
[M+K]+ 161.016338 126.2
[M+H-H2O]+ 105.050440 114.4
[M+HCOO]- 167.051381 143.4
[M+CH3COO]- 181.067031 171.1
[M+Na-2H]- 143.027846 127.5
[M]+ 122.05263142 117.4
[M]- 122.05372858 117.4
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