CID 82363277

1-(but-3-yn-1-yl)-2-fluorobenzene

Structural Information

Molecular Formula
C10H9F
SMILES
C#CCCC1=CC=CC=C1F
InChI
InChI=1S/C10H9F/c1-2-3-6-9-7-4-5-8-10(9)11/h1,4-5,7-8H,3,6H2
InChIKey
ZKZQSYBHJZZIIT-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06883 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07611 127.7
[M+Na]+ 171.05805 138.5
[M-H]- 147.06155 128.9
[M+NH4]+ 166.10265 147.0
[M+K]+ 187.03199 134.0
[M+H-H2O]+ 131.06609 115.9
[M+HCOO]- 193.06703 145.5
[M+CH3COO]- 207.08268 185.3
[M+Na-2H]- 169.04350 133.6
[M]+ 148.06828 121.5
[M]- 148.06938 121.5
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.