CID 6401

1,2-dibromo-1,1-dichloroethane

Structural Information

Molecular Formula
C2H2Br2Cl2
SMILES
C(C(Cl)(Cl)Br)Br
InChI
InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2
InChIKey
FIYBYNHDEOSJPL-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,1-dichloroethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

263
Patents

253.79002 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.79730 130.1
[M+Na]+ 276.77924 143.9
[M-H]- 252.78274 134.5
[M+NH4]+ 271.82384 151.9
[M+K]+ 292.75318 126.0
[M+H-H2O]+ 236.78728 140.3
[M+HCOO]- 298.78822 138.3
[M+CH3COO]- 312.80387 194.8
[M+Na-2H]- 274.76469 139.0
[M]+ 253.78947 164.3
[M]- 253.79057 164.3
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