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

14
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

literature stripe

Patent stripe

patents stripe