CID 13901570

Schembl686328

Structural Information

Molecular Formula
C8H8Br2
SMILES
CC(C1=CC=CC=C1)(Br)Br
InChI
InChI=1S/C8H8Br2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
SYHRBLJDOHYGJU-UHFFFAOYSA-N
Compound name
1,1-dibromoethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

261.8993 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.906576 138.1
[M+Na]+ 284.888518 148.8
[M-H]- 260.892024 144.9
[M+NH4]+ 279.933123 158.4
[M+K]+ 300.862458 133.8
[M+H-H2O]+ 244.896560 147.0
[M+HCOO]- 306.897501 153.7
[M+CH3COO]- 320.913151 198.1
[M+Na-2H]- 282.873966 147.2
[M]+ 261.89875142 171.3
[M]- 261.89984858 171.3
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