CID 79092

1,2-dibromo-1,2-dichloroethane

Structural Information

Molecular Formula
C2H2Br2Cl2
SMILES
C(C(Cl)Br)(Cl)Br
InChI
InChI=1S/C2H2Br2Cl2/c3-1(5)2(4)6/h1-2H
InChIKey
RJMDFMUPJANPGX-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,2-dichloroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

190
Patents

253.79002 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.79730 128.4
[M+Na]+ 276.77924 141.5
[M-H]- 252.78274 132.7
[M+NH4]+ 271.82384 150.0
[M+K]+ 292.75318 123.9
[M+H-H2O]+ 236.78728 138.4
[M+HCOO]- 298.78822 136.4
[M+CH3COO]- 312.80387 195.8
[M+Na-2H]- 274.76469 135.3
[M]+ 253.78947 162.1
[M]- 253.79057 162.1
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