CID 46412

4,4-difluoro-2-butanol

Structural Information

Molecular Formula
C4H8F2O
SMILES
CC(CC(F)F)O
InChI
InChI=1S/C4H8F2O/c1-3(7)2-4(5)6/h3-4,7H,2H2,1H3
InChIKey
CTEKRDCXQUAXMK-UHFFFAOYSA-N
Compound name
4,4-difluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

110.05432 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06160 118.7
[M+Na]+ 133.04354 125.9
[M-H]- 109.04704 115.3
[M+NH4]+ 128.08814 140.8
[M+K]+ 149.01748 125.9
[M+H-H2O]+ 93.051580 113.1
[M+HCOO]- 155.05252 137.8
[M+CH3COO]- 169.06817 167.7
[M+Na-2H]- 131.02899 122.7
[M]+ 110.05377 115.0
[M]- 110.05487 115.0
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