CID 7287

1,3-dibromo-2-propanol

Structural Information

Molecular Formula
C3H6Br2O
SMILES
C(C(CBr)O)Br
InChI
InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
KIHQZLPHVZKELA-UHFFFAOYSA-N
Compound name
1,3-dibromopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3960
Patents

215.87854 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.88582 126.2
[M+Na]+ 238.86776 136.7
[M-H]- 214.87126 129.4
[M+NH4]+ 233.91236 147.2
[M+K]+ 254.84170 121.7
[M+H-H2O]+ 198.87580 134.6
[M+HCOO]- 260.87674 141.1
[M+CH3COO]- 274.89239 190.2
[M+Na-2H]- 236.85321 133.7
[M]+ 215.87799 158.8
[M]- 215.87909 158.8
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.