CID 170916686

3,3-dibromo-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C3H3Br2F3O
SMILES
C(C(Br)Br)(C(F)(F)F)O
InChI
InChI=1S/C3H3Br2F3O/c4-2(5)1(9)3(6,7)8/h1-2,9H
InChIKey
YRTSEGMKVFGJMT-UHFFFAOYSA-N
Compound name
3,3-dibromo-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.85028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.85756 142.6
[M+Na]+ 292.83950 153.3
[M-H]- 268.84300 142.9
[M+NH4]+ 287.88410 161.7
[M+K]+ 308.81344 137.6
[M+H-H2O]+ 252.84754 149.0
[M+HCOO]- 314.84848 153.0
[M+CH3COO]- 328.86413 196.8
[M+Na-2H]- 290.82495 147.2
[M]+ 269.84973 171.1
[M]- 269.85083 171.1
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

No patent data available for this compound.