CID 9762

6-fluorohex-1-yne

Structural Information

Molecular Formula
C6H9F
SMILES
C#CCCCCF
InChI
InChI=1S/C6H9F/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKey
YDUGWJMUYOGFLN-UHFFFAOYSA-N
Compound name
6-fluorohex-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

100.068825 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07610 114.2
[M+Na]+ 123.05804 123.9
[M-H]- 99.061549 112.9
[M+NH4]+ 118.10265 135.2
[M+K]+ 139.03198 122.2
[M+H-H2O]+ 83.066085 103.5
[M+HCOO]- 145.06703 131.7
[M+CH3COO]- 159.08268 178.0
[M+Na-2H]- 121.04349 120.7
[M]+ 100.06828 108.7
[M]- 100.06937 108.7
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