CID 12498552

1,3-bis(2-bromoethyl)benzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
C1=CC(=CC(=C1)CCBr)CCBr
InChI
InChI=1S/C10H12Br2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-7H2
InChIKey
DSNHDGANDCBSAV-UHFFFAOYSA-N
Compound name
1,3-bis(2-bromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

289.93057 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.937846 142.6
[M+Na]+ 312.919788 153.0
[M-H]- 288.923294 149.2
[M+NH4]+ 307.964393 162.3
[M+K]+ 328.893728 137.4
[M+H-H2O]+ 272.927830 150.9
[M+HCOO]- 334.928771 159.0
[M+CH3COO]- 348.944421 203.2
[M+Na-2H]- 310.905236 150.1
[M]+ 289.93002142 177.0
[M]- 289.93111858 177.0
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