CID 11138448

(2z)-1,2-dibromobut-2-ene

Structural Information

Molecular Formula
C4H6Br2
SMILES
C/C=C(/CBr)\Br
InChI
InChI=1S/C4H6Br2/c1-2-4(6)3-5/h2H,3H2,1H3/b4-2-
InChIKey
VFPLAXWLJIGINL-RQOWECAXSA-N
Compound name
(Z)-1,2-dibromobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

211.88364 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.89092 125.0
[M+Na]+ 234.87286 136.2
[M-H]- 210.87636 129.5
[M+NH4]+ 229.91746 147.0
[M+K]+ 250.84680 121.0
[M+H-H2O]+ 194.88090 133.7
[M+HCOO]- 256.88184 141.0
[M+CH3COO]- 270.89749 191.9
[M+Na-2H]- 232.85831 132.9
[M]+ 211.88309 157.9
[M]- 211.88419 157.9
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