CID 7281

2,3-dibromo-1-propanol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

27
References

4476
Patents

215.87854 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.885816 126.2
[M+Na]+ 238.867758 136.7
[M-H]- 214.871264 129.4
[M+NH4]+ 233.912363 147.2
[M+K]+ 254.841698 121.7
[M+H-H2O]+ 198.875800 134.6
[M+HCOO]- 260.876741 141.1
[M+CH3COO]- 274.892391 190.2
[M+Na-2H]- 236.853206 133.7
[M]+ 215.87799142 158.8
[M]- 215.87908858 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