CID 641245

821-06-7

Structural Information

Molecular Formula
C4H6Br2
SMILES
C(/C=C/CBr)Br
InChI
InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKey
RMXLHIUHKIVPAB-OWOJBTEDSA-N
Compound name
(E)-1,4-dibromobut-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2686
Patents

211.88364 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.89092 123.5
[M+Na]+ 234.87286 135.0
[M-H]- 210.87636 128.0
[M+NH4]+ 229.91746 145.6
[M+K]+ 250.84680 119.6
[M+H-H2O]+ 194.88090 132.3
[M+HCOO]- 256.88184 140.4
[M+CH3COO]- 270.89749 191.3
[M+Na-2H]- 232.85831 132.5
[M]+ 211.88309 157.0
[M]- 211.88419 157.0
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