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

239
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 141.8
[M+Na]+ 239.92667 152.6
[M-H]- 215.93017 148.8
[M+NH4]+ 234.97127 163.3
[M+K]+ 255.90061 139.9
[M+H-H2O]+ 199.93471 146.1
[M+HCOO]- 261.93565 165.0
[M+CH3COO]- 275.95130 175.9
[M+Na-2H]- 237.91212 150.3
[M]+ 216.93690 159.8
[M]- 216.93800 159.8
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