CID 70486066

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

Structural Information

Molecular Formula
C8H7BrCl2
SMILES
CC(C1=C(C(=CC=C1)Cl)Cl)Br
InChI
InChI=1S/C8H7BrCl2/c1-5(9)6-3-2-4-7(10)8(6)11/h2-5H,1H3
InChIKey
XBIWVFRMNYUYFP-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-2,3-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.91081 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.91809 141.0
[M+Na]+ 274.90003 147.3
[M+NH4]+ 269.94463 147.6
[M+K]+ 290.87397 145.2
[M-H]- 250.90353 142.5
[M+Na-2H]- 272.88548 145.9
[M]+ 251.91026 141.9
[M]- 251.91136 141.9
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