CID 118496722

4,4,4-trifluoro-3,3-dimethylbutan-1-ol

Structural Information

Molecular Formula
C6H11F3O
SMILES
CC(C)(CCO)C(F)(F)F
InChI
InChI=1S/C6H11F3O/c1-5(2,3-4-10)6(7,8)9/h10H,3-4H2,1-2H3
InChIKey
QXWRYXWCZNJREB-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3,3-dimethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

156.0762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08348 129.7
[M+Na]+ 179.06542 137.5
[M-H]- 155.06892 125.0
[M+NH4]+ 174.11002 150.3
[M+K]+ 195.03936 136.5
[M+H-H2O]+ 139.07346 123.9
[M+HCOO]- 201.07440 145.9
[M+CH3COO]- 215.09005 175.0
[M+Na-2H]- 177.05087 135.9
[M]+ 156.07565 125.6
[M]- 156.07675 125.6
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