CID 57675516

2,2-difluoro-3-methylbutan-1-ol

Structural Information

Molecular Formula
C5H10F2O
SMILES
CC(C)C(CO)(F)F
InChI
InChI=1S/C5H10F2O/c1-4(2)5(6,7)3-8/h4,8H,3H2,1-2H3
InChIKey
QDDNJNJLOKECKA-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

124.06997 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07725 122.6
[M+Na]+ 147.05919 130.1
[M-H]- 123.06269 119.3
[M+NH4]+ 142.10379 144.4
[M+K]+ 163.03313 129.8
[M+H-H2O]+ 107.06723 117.5
[M+HCOO]- 169.06817 140.8
[M+CH3COO]- 183.08382 170.1
[M+Na-2H]- 145.04464 128.0
[M]+ 124.06942 119.4
[M]- 124.07052 119.4
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