CID 14985080

66472-51-3

Structural Information

Molecular Formula
C9H9FO
SMILES
COC1=CC=C(C=C1)C(=C)F
InChI
InChI=1S/C9H9FO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1H2,2H3
InChIKey
VBPKIWIFENWSNW-UHFFFAOYSA-N
Compound name
1-(1-fluoroethenyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

152.06374 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 127.8
[M+Na]+ 175.052958 136.2
[M-H]- 151.056464 130.5
[M+NH4]+ 170.097563 149.1
[M+K]+ 191.026898 134.4
[M+H-H2O]+ 135.061000 121.6
[M+HCOO]- 197.061941 150.8
[M+CH3COO]- 211.077591 177.2
[M+Na-2H]- 173.038406 133.6
[M]+ 152.06319142 127.1
[M]- 152.06428858 127.1
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