CID 165614869

4-fluoro-3,3-dimethylbut-1-yne

Structural Information

Molecular Formula
C6H9F
SMILES
CC(C)(CF)C#C
InChI
InChI=1S/C6H9F/c1-4-6(2,3)5-7/h1H,5H2,2-3H3
InChIKey
GIUVWEBCULDEHG-UHFFFAOYSA-N
Compound name
4-fluoro-3,3-dimethylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

100.068825 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07610 117.5
[M+Na]+ 123.05804 127.5
[M-H]- 99.061549 116.5
[M+NH4]+ 118.10265 138.6
[M+K]+ 139.03198 126.3
[M+H-H2O]+ 83.066085 107.3
[M+HCOO]- 145.06703 133.6
[M+CH3COO]- 159.08268 178.3
[M+Na-2H]- 121.04349 124.2
[M]+ 100.06828 111.5
[M]- 100.06937 111.5
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.