CID 3611870

1,2-bis(2-bromoethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

289.93057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 142.6
[M+Na]+ 312.91979 153.0
[M-H]- 288.92329 149.2
[M+NH4]+ 307.96439 162.3
[M+K]+ 328.89373 137.4
[M+H-H2O]+ 272.92783 150.9
[M+HCOO]- 334.92877 159.0
[M+CH3COO]- 348.94442 203.2
[M+Na-2H]- 310.90524 150.1
[M]+ 289.93002 177.0
[M]- 289.93112 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

literature stripe

Patent stripe

patents stripe