CID 91623133

1-ethynyl-2,3-difluoro-4-methoxybenzene

Structural Information

Molecular Formula
C9H6F2O
SMILES
COC1=C(C(=C(C=C1)C#C)F)F
InChI
InChI=1S/C9H6F2O/c1-3-6-4-5-7(12-2)9(11)8(6)10/h1,4-5H,2H3
InChIKey
JFMROCFXMDXACL-UHFFFAOYSA-N
Compound name
1-ethynyl-2,3-difluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03867 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04595 134.7
[M+Na]+ 191.02789 147.3
[M+NH4]+ 186.07249 138.8
[M+K]+ 207.00183 137.4
[M-H]- 167.03139 126.3
[M+Na-2H]- 189.01334 137.6
[M]+ 168.03812 133.3
[M]- 168.03922 133.3
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

No patent data available for this compound.