CID 220632

3-bromo-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C3H4BrF3O
SMILES
C(C(C(F)(F)F)O)Br
InChI
InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2
InChIKey
VBHIIZIQRDVGDH-UHFFFAOYSA-N
Compound name
3-bromo-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

361
Patents

191.93976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94704 141.5
[M+Na]+ 214.92898 140.8
[M+NH4]+ 209.97358 143.9
[M+K]+ 230.90292 142.1
[M-H]- 190.93248 135.5
[M+Na-2H]- 212.91443 140.3
[M]+ 191.93921 138.3
[M]- 191.94031 138.3
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