CID 11403793

1-chloro-4-(1,2-dibromoethyl)benzene

Structural Information

Molecular Formula
C8H7Br2Cl
SMILES
C1=CC(=CC=C1C(CBr)Br)Cl
InChI
InChI=1S/C8H7Br2Cl/c9-5-8(10)6-1-3-7(11)4-2-6/h1-4,8H,5H2
InChIKey
LBLPNCDPGCZTRP-UHFFFAOYSA-N
Compound name
1-chloro-4-(1,2-dibromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

295.8603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86758 140.6
[M+Na]+ 318.84952 152.5
[M-H]- 294.85302 147.5
[M+NH4]+ 313.89412 160.8
[M+K]+ 334.82346 135.7
[M+H-H2O]+ 278.85756 149.8
[M+HCOO]- 340.85850 153.1
[M+CH3COO]- 354.87415 202.1
[M+Na-2H]- 316.83497 147.7
[M]+ 295.85975 175.4
[M]- 295.86085 175.4
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.