CID 14993941

2-(2-bromo-2-nitroethenyl)furan

Structural Information

Molecular Formula
C6H4BrNO3
SMILES
C1=COC(=C1)/C=C(/[N+](=O)[O-])\Br
InChI
InChI=1S/C6H4BrNO3/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKey
MWBCFEHXWNHTDU-GQCTYLIASA-N
Compound name
2-[(Z)-2-bromo-2-nitroethenyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

216.93745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.94473 142.3
[M+Na]+ 239.92667 144.3
[M+NH4]+ 234.97127 146.5
[M+K]+ 255.90061 149.2
[M-H]- 215.93017 143.6
[M+Na-2H]- 237.91212 143.6
[M]+ 216.93690 141.5
[M]- 216.93800 141.5
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