CID 86683229

3,3-difluoro-2-methylbutan-2-ol

Structural Information

Molecular Formula
C5H10F2O
SMILES
CC(C)(C(C)(F)F)O
InChI
InChI=1S/C5H10F2O/c1-4(2,8)5(3,6)7/h8H,1-3H3
InChIKey
TXXIGCNCXFCJIR-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

124.06997 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07725 122.0
[M+Na]+ 147.05919 130.2
[M-H]- 123.06269 118.9
[M+NH4]+ 142.10379 143.9
[M+K]+ 163.03313 129.8
[M+H-H2O]+ 107.06723 117.5
[M+HCOO]- 169.06817 139.6
[M+CH3COO]- 183.08382 169.8
[M+Na-2H]- 145.04464 129.4
[M]+ 124.06942 118.9
[M]- 124.07052 118.9
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