CID 42040

4'-ethynyl-2-fluoro-1,1'-biphenyl

Structural Information

Molecular Formula
C14H9F
SMILES
C#CC1=CC=C(C=C1)C2=CC=CC=C2F
InChI
InChI=1S/C14H9F/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15/h1,3-10H
InChIKey
YETULFFXNIHQLK-UHFFFAOYSA-N
Compound name
1-ethynyl-4-(2-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2368
Patents

196.06883 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.076106 142.9
[M+Na]+ 219.058048 154.6
[M-H]- 195.061554 146.4
[M+NH4]+ 214.102653 160.1
[M+K]+ 235.031988 147.3
[M+H-H2O]+ 179.066090 129.7
[M+HCOO]- 241.067031 160.5
[M+CH3COO]- 255.082681 154.6
[M+Na-2H]- 217.043496 147.7
[M]+ 196.06828142 135.7
[M]- 196.06937858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe