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

31
Patents

289.93057 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 149.1
[M+Na]+ 312.91979 144.8
[M+NH4]+ 307.96439 151.7
[M+K]+ 328.89373 149.8
[M-H]- 288.92329 150.4
[M+Na-2H]- 310.90524 151.2
[M]+ 289.93002 147.8
[M]- 289.93112 147.8
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

patents stripe