CID 6433836

(2z)-2-bromobut-2-enal

Structural Information

Molecular Formula
C4H5BrO
SMILES
C/C=C(/C=O)\Br
InChI
InChI=1S/C4H5BrO/c1-2-4(5)3-6/h2-3H,1H3/b4-2-
InChIKey
DOZLVLCBCZGSSH-RQOWECAXSA-N
Compound name
(Z)-2-bromobut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

147.95238 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.959656 120.4
[M+Na]+ 170.941598 132.4
[M-H]- 146.945104 124.0
[M+NH4]+ 165.986203 145.2
[M+K]+ 186.915538 122.6
[M+H-H2O]+ 130.949640 121.9
[M+HCOO]- 192.950581 142.0
[M+CH3COO]- 206.966231 172.8
[M+Na-2H]- 168.927046 128.6
[M]+ 147.95183142 138.6
[M]- 147.95292858 138.6
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