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]+ 151.055376 125.6
[M+Na]+ 173.037318 137.5
[M-H]- 149.040824 127.3
[M+NH4]+ 168.081923 145.0
[M+K]+ 189.011258 133.8
[M+H-H2O]+ 133.045360 113.9
[M+HCOO]- 195.046301 143.8
[M+CH3COO]- 209.061951 185.3
[M+Na-2H]- 171.022766 131.3
[M]+ 150.04755142 120.6
[M]- 150.04864858 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