CID 16065099

2-bromo-5-(2-nitroprop-1-en-1-yl)furan

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
C/C(=C\C1=CC=C(O1)Br)/[N+](=O)[O-]
InChI
InChI=1S/C7H6BrNO3/c1-5(9(10)11)4-6-2-3-7(8)12-6/h2-4H,1H3/b5-4+
InChIKey
NTCSJAIZGNPUBU-SNAWJCMRSA-N
Compound name
2-bromo-5-[(E)-2-nitroprop-1-enyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.95311 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 145.9
[M+Na]+ 253.94233 157.1
[M-H]- 229.94583 153.1
[M+NH4]+ 248.98693 167.1
[M+K]+ 269.91627 144.1
[M+H-H2O]+ 213.95037 150.2
[M+HCOO]- 275.95131 168.7
[M+CH3COO]- 289.96696 179.7
[M+Na-2H]- 251.92778 153.3
[M]+ 230.95256 164.5
[M]- 230.95366 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe