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]+ 231.960386 145.9
[M+Na]+ 253.942328 157.1
[M-H]- 229.945834 153.1
[M+NH4]+ 248.986933 167.1
[M+K]+ 269.916268 144.1
[M+H-H2O]+ 213.950370 150.2
[M+HCOO]- 275.951311 168.7
[M+CH3COO]- 289.966961 179.7
[M+Na-2H]- 251.927776 153.3
[M]+ 230.95256142 164.5
[M]- 230.95365858 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