CID 7839

1,2-dibromoethane

Structural Information

Molecular Formula
C2H4Br2
SMILES
C(CBr)Br
InChI
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
InChIKey
PAAZPARNPHGIKF-UHFFFAOYSA-N
Compound name
1,2-dibromoethane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

557
References

84259
Patents

185.86798 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.87526 116.9
[M+Na]+ 208.85720 128.7
[M-H]- 184.86070 121.6
[M+NH4]+ 203.90180 139.7
[M+K]+ 224.83114 114.2
[M+H-H2O]+ 168.86524 125.9
[M+HCOO]- 230.86618 134.1
[M+CH3COO]- 244.88183 188.0
[M+Na-2H]- 206.84265 126.8
[M]+ 185.86743 150.4
[M]- 185.86853 150.4
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