CID 3799013

1-bromo-3-(chloromethoxy)propane

Structural Information

Molecular Formula
C4H8BrClO
SMILES
C(COCCl)CBr
InChI
InChI=1S/C4H8BrClO/c5-2-1-3-7-4-6/h1-4H2
InChIKey
UMGFNULODFNOJN-UHFFFAOYSA-N
Compound name
1-bromo-3-(chloromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.94472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95200 127.7
[M+Na]+ 208.93394 140.3
[M-H]- 184.93744 131.0
[M+NH4]+ 203.97854 152.1
[M+K]+ 224.90788 129.0
[M+H-H2O]+ 168.94198 129.8
[M+HCOO]- 230.94292 145.5
[M+CH3COO]- 244.95857 178.1
[M+Na-2H]- 206.91939 136.7
[M]+ 185.94417 149.5
[M]- 185.94527 149.5
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