CID 26986262

866683-57-0

Structural Information

Molecular Formula
C9H5F3O
SMILES
C#CC1=CC(=CC=C1)OC(F)(F)F
InChI
InChI=1S/C9H5F3O/c1-2-7-4-3-5-8(6-7)13-9(10,11)12/h1,3-6H
InChIKey
NWBWKSOPVZODSM-UHFFFAOYSA-N
Compound name
1-ethynyl-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

186.02925 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03653 143.6
[M+Na]+ 209.01847 154.2
[M+NH4]+ 204.06307 146.6
[M+K]+ 224.99241 144.9
[M-H]- 185.02197 133.3
[M+Na-2H]- 207.00392 145.6
[M]+ 186.02870 141.4
[M]- 186.02980 141.4
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