CID 129071005

2-(difluoromethyl)-2-methylbutan-1-ol

Structural Information

Molecular Formula
C6H12F2O
SMILES
CCC(C)(CO)C(F)F
InChI
InChI=1S/C6H12F2O/c1-3-6(2,4-9)5(7)8/h5,9H,3-4H2,1-2H3
InChIKey
MBJISCCLXINCSO-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-2-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

138.08562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09290 131.3
[M+Na]+ 161.07484 139.1
[M+NH4]+ 156.11944 137.5
[M+K]+ 177.04878 135.0
[M-H]- 137.07834 127.0
[M+Na-2H]- 159.06029 133.2
[M]+ 138.08507 130.8
[M]- 138.08617 130.8
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