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

2
Patents

173.94917 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.95645 127.9
[M+Na]+ 196.93839 139.8
[M-H]- 172.94189 127.7
[M+NH4]+ 191.98299 151.0
[M+K]+ 212.91233 129.5
[M+H-H2O]+ 156.94643 128.1
[M+HCOO]- 218.94737 145.4
[M+CH3COO]- 232.96302 174.4
[M+Na-2H]- 194.92384 136.1
[M]+ 173.94862 143.1
[M]- 173.94972 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