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

86274
Patents

185.86798 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.875256 116.9
[M+Na]+ 208.857198 128.7
[M-H]- 184.860704 121.6
[M+NH4]+ 203.901803 139.7
[M+K]+ 224.831138 114.2
[M+H-H2O]+ 168.865240 125.9
[M+HCOO]- 230.866181 134.1
[M+CH3COO]- 244.881831 188.0
[M+Na-2H]- 206.842646 126.8
[M]+ 185.86743142 150.4
[M]- 185.86852858 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