CID 165368615

1-bromo-2-(1-bromoethyl)-4-chlorobenzene

Structural Information

Molecular Formula
C8H7Br2Cl
SMILES
CC(C1=C(C=CC(=C1)Cl)Br)Br
InChI
InChI=1S/C8H7Br2Cl/c1-5(9)7-4-6(11)2-3-8(7)10/h2-5H,1H3
InChIKey
TWJSIBHMELAWHO-UHFFFAOYSA-N
Compound name
1-bromo-2-(1-bromoethyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.8603 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86758 139.8
[M+Na]+ 318.84952 152.4
[M-H]- 294.85302 146.9
[M+NH4]+ 313.89412 160.2
[M+K]+ 334.82346 135.5
[M+H-H2O]+ 278.85756 149.0
[M+HCOO]- 340.85850 152.2
[M+CH3COO]- 354.87415 203.0
[M+Na-2H]- 316.83497 146.4
[M]+ 295.85975 174.8
[M]- 295.86085 174.8
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

No patent data available for this compound.