CID 69426

1,2-dibromotetrachloroethane

Structural Information

Molecular Formula
C2Br2Cl4
SMILES
C(C(Cl)(Cl)Br)(Cl)(Cl)Br
InChI
InChI=1S/C2Br2Cl4/c3-1(5,6)2(4,7)8
InChIKey
WJUKOGPNGRUXMG-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,1,2,2-tetrachloroethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3060
Patents

321.7121 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.71938 143.1
[M+Na]+ 344.70132 157.2
[M-H]- 320.70482 145.9
[M+NH4]+ 339.74592 162.1
[M+K]+ 360.67526 138.4
[M+H-H2O]+ 304.70936 153.3
[M+HCOO]- 366.71030 141.6
[M+CH3COO]- 380.72595 204.3
[M+Na-2H]- 342.68677 150.1
[M]+ 321.71155 173.6
[M]- 321.71265 173.6
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