CID 18353970

3,3-difluorobutan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

110.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06160 117.8
[M+Na]+ 133.04354 125.8
[M-H]- 109.04704 114.7
[M+NH4]+ 128.08814 140.1
[M+K]+ 149.01748 125.7
[M+H-H2O]+ 93.051580 112.9
[M+HCOO]- 155.05252 136.4
[M+CH3COO]- 169.06817 167.1
[M+Na-2H]- 131.02899 123.8
[M]+ 110.05377 114.3
[M]- 110.05487 114.3
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