CID 20664

1-bromo-3-chloropropan-2-ol

Structural Information

Molecular Formula
C3H6BrClO
SMILES
C(C(CBr)O)Cl
InChI
InChI=1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
TVDCSPSRGSLXOV-UHFFFAOYSA-N
Compound name
1-bromo-3-chloropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

171.92906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.93634 124.7
[M+Na]+ 194.91828 136.9
[M-H]- 170.92178 126.8
[M+NH4]+ 189.96288 148.8
[M+K]+ 210.89222 125.3
[M+H-H2O]+ 154.92632 127.1
[M+HCOO]- 216.92726 140.4
[M+CH3COO]- 230.94291 173.5
[M+Na-2H]- 192.90373 132.4
[M]+ 171.92851 143.7
[M]- 171.92961 143.7
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