CID 11712

Tribromoethylene

Structural Information

Molecular Formula
C2HBr3
SMILES
C(=C(Br)Br)Br
InChI
InChI=1S/C2HBr3/c3-1-2(4)5/h1H
InChIKey
OZVJKTHTULCNHB-UHFFFAOYSA-N
Compound name
1,1,2-tribromoethene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

654
Patents

261.76285 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.77013 123.9
[M+Na]+ 284.75207 132.8
[M-H]- 260.75557 128.0
[M+NH4]+ 279.79667 141.0
[M+K]+ 300.72601 117.4
[M+H-H2O]+ 244.76011 139.2
[M+HCOO]- 306.76105 134.6
[M+CH3COO]- 320.77670 210.3
[M+Na-2H]- 282.73752 130.8
[M]+ 261.76230 163.4
[M]- 261.76340 163.4
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