CID 10866578

1,1,1-trifluoro-3,3-dimethylbutan-2-ol

Structural Information

Molecular Formula
C6H11F3O
SMILES
CC(C)(C)C(C(F)(F)F)O
InChI
InChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3
InChIKey
WNVPWDLBCRTOGW-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3,3-dimethylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

156.0762 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08348 129.2
[M+Na]+ 179.06542 136.9
[M-H]- 155.06892 124.7
[M+NH4]+ 174.11002 149.8
[M+K]+ 195.03936 136.3
[M+H-H2O]+ 139.07346 123.6
[M+HCOO]- 201.07440 144.5
[M+CH3COO]- 215.09005 175.1
[M+Na-2H]- 177.05087 134.2
[M]+ 156.07565 124.3
[M]- 156.07675 124.3
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