CID 53976399

4,4-difluorobutan-1-ol

Structural Information

Molecular Formula
C4H8F2O
SMILES
C(CC(F)F)CO
InChI
InChI=1S/C4H8F2O/c5-4(6)2-1-3-7/h4,7H,1-3H2
InChIKey
DZVCDDZUOAMMJT-UHFFFAOYSA-N
Compound name
4,4-difluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

326
Patents

110.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06160 118.4
[M+Na]+ 133.04354 125.8
[M-H]- 109.04704 114.8
[M+NH4]+ 128.08814 140.5
[M+K]+ 149.01748 125.4
[M+H-H2O]+ 93.051580 112.7
[M+HCOO]- 155.05252 138.4
[M+CH3COO]- 169.06817 166.8
[M+Na-2H]- 131.02899 123.6
[M]+ 110.05377 115.3
[M]- 110.05487 115.3
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