CID 2778495

3-(difluoromethoxy)phenylacetylene

Structural Information

Molecular Formula
C9H6F2O
SMILES
C#CC1=CC(=CC=C1)OC(F)F
InChI
InChI=1S/C9H6F2O/c1-2-7-4-3-5-8(6-7)12-9(10)11/h1,3-6,9H
InChIKey
UGUOBKVALAVDFR-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-3-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

168.03867 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04595 136.3
[M+Na]+ 191.02789 148.1
[M+NH4]+ 186.07249 140.4
[M+K]+ 207.00183 138.4
[M-H]- 167.03139 127.7
[M+Na-2H]- 189.01334 139.3
[M]+ 168.03812 134.7
[M]- 168.03922 134.7
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