CID 25257055

2-ethynyl-4-fluoro-1-methoxybenzene

Structural Information

Molecular Formula
C9H7FO
SMILES
COC1=C(C=C(C=C1)F)C#C
InChI
InChI=1S/C9H7FO/c1-3-7-6-8(10)4-5-9(7)11-2/h1,4-6H,2H3
InChIKey
FCSZVHYDFHSYSO-UHFFFAOYSA-N
Compound name
2-ethynyl-4-fluoro-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.0481 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 125.6
[M+Na]+ 173.03732 137.5
[M-H]- 149.04082 127.3
[M+NH4]+ 168.08192 145.0
[M+K]+ 189.01126 133.8
[M+H-H2O]+ 133.04536 113.9
[M+HCOO]- 195.04630 143.8
[M+CH3COO]- 209.06195 185.3
[M+Na-2H]- 171.02277 131.3
[M]+ 150.04755 120.6
[M]- 150.04865 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe