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

3676
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

literature stripe

Patent stripe

patents stripe