CID 20806740

3-fluorobut-3-en-1-ol

Structural Information

Molecular Formula
C4H7FO
SMILES
C=C(CCO)F
InChI
InChI=1S/C4H7FO/c1-4(5)2-3-6/h6H,1-3H2
InChIKey
PSFNCYUGFYPKSV-UHFFFAOYSA-N
Compound name
3-fluorobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

90.048096 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.055372 114.4
[M+Na]+ 113.03731 122.1
[M-H]- 89.040820 112.3
[M+NH4]+ 108.08192 137.4
[M+K]+ 129.01125 121.5
[M+H-H2O]+ 73.045356 109.9
[M+HCOO]- 135.04630 135.7
[M+CH3COO]- 149.06195 163.0
[M+Na-2H]- 111.02276 120.3
[M]+ 90.047547 111.9
[M]- 90.048645 111.9
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