CID 21880591

2,2-difluorobutan-1-ol

Structural Information

Molecular Formula
C4H8F2O
SMILES
CCC(CO)(F)F
InChI
InChI=1S/C4H8F2O/c1-2-4(5,6)3-7/h7H,2-3H2,1H3
InChIKey
UNOKOFMLFNVANI-UHFFFAOYSA-N
Compound name
2,2-difluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
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 122.2
[M+Na]+ 133.04354 130.7
[M+NH4]+ 128.08814 128.9
[M+K]+ 149.01748 126.4
[M-H]- 109.04704 118.2
[M+Na-2H]- 131.02899 125.0
[M]+ 110.05377 122.0
[M]- 110.05487 122.0
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