CID 86867

2-butene, 2,3-dibromo-

Structural Information

Molecular Formula
C4H6Br2
SMILES
CC(=C(C)Br)Br
InChI
InChI=1S/C4H6Br2/c1-3(5)4(2)6/h1-2H3
InChIKey
SDEHPRGMSHJNMU-UHFFFAOYSA-N
Compound name
2,3-dibromobut-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

568
Patents

211.88364 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.890916 126.2
[M+Na]+ 234.872858 137.2
[M-H]- 210.876364 130.7
[M+NH4]+ 229.917463 148.1
[M+K]+ 250.846798 122.3
[M+H-H2O]+ 194.880900 134.9
[M+HCOO]- 256.881841 141.4
[M+CH3COO]- 270.897491 192.5
[M+Na-2H]- 232.858306 133.0
[M]+ 211.88309142 158.5
[M]- 211.88418858 158.5
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