CID 154204660

3-bromo-3,3-difluoropropan-1-ol

Structural Information

Molecular Formula
C3H5BrF2O
SMILES
C(CO)C(F)(F)Br
InChI
InChI=1S/C3H5BrF2O/c4-3(5,6)1-2-7/h7H,1-2H2
InChIKey
VOVIJZMMPQFCRY-UHFFFAOYSA-N
Compound name
3-bromo-3,3-difluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

173.94917 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.956446 127.9
[M+Na]+ 196.938388 139.8
[M-H]- 172.941894 127.7
[M+NH4]+ 191.982993 151.0
[M+K]+ 212.912328 129.5
[M+H-H2O]+ 156.946430 128.1
[M+HCOO]- 218.947371 145.4
[M+CH3COO]- 232.963021 174.4
[M+Na-2H]- 194.923836 136.1
[M]+ 173.94862142 143.1
[M]- 173.94971858 143.1
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

patents stripe