CID 34628

29553-26-2

Structural Information

Molecular Formula
C5H8F4O
SMILES
CC(C)(C(C(F)F)(F)F)O
InChI
InChI=1S/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3
InChIKey
NCMPMCXQKBZXGI-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoro-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

29
Patents

160.05113 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05841 126.9
[M+Na]+ 183.04035 134.9
[M-H]- 159.04385 121.1
[M+NH4]+ 178.08495 147.0
[M+K]+ 199.01429 134.1
[M+H-H2O]+ 143.04839 120.4
[M+HCOO]- 205.04933 141.4
[M+CH3COO]- 219.06498 176.4
[M+Na-2H]- 181.02580 131.8
[M]+ 160.05058 120.5
[M]- 160.05168 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe