CID 73936

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

Structural Information

Molecular Formula
C4H4F6O
SMILES
CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
InChIKey
FQDXJYBXPOMIBX-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2801
Patents

182.01663 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02391 127.9
[M+Na]+ 205.00585 137.2
[M-H]- 181.00935 120.0
[M+NH4]+ 200.05045 147.1
[M+K]+ 220.97979 135.8
[M+H-H2O]+ 165.01389 120.2
[M+HCOO]- 227.01483 140.0
[M+CH3COO]- 241.03048 177.8
[M+Na-2H]- 202.99130 134.2
[M]+ 182.01608 118.2
[M]- 182.01718 118.2
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