CID 20568649

1-(2-bromoethyl)-2,3-dichlorobenzene

Structural Information

Molecular Formula
C8H7BrCl2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)CCBr
InChI
InChI=1S/C8H7BrCl2/c9-5-4-6-2-1-3-7(10)8(6)11/h1-3H,4-5H2
InChIKey
FDYYGZOWHGEICH-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2,3-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

251.91081 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.91809 142.1
[M+Na]+ 274.90003 148.6
[M+NH4]+ 269.94463 148.7
[M+K]+ 290.87397 145.8
[M-H]- 250.90353 143.8
[M+Na-2H]- 272.88548 147.2
[M]+ 251.91026 143.1
[M]- 251.91136 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe