CID 3055474

Spiro(benzofuran-2(3h),1'-cyclopropan)-3-one, 5-nitro-

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1CC12C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO4/c12-9-7-5-6(11(13)14)1-2-8(7)15-10(9)3-4-10/h1-2,5H,3-4H2
InChIKey
ZVUVCQRAMOMBPL-UHFFFAOYSA-N
Compound name
5-nitrospiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.0375 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 136.1
[M+Na]+ 228.026718 147.2
[M-H]- 204.030224 144.9
[M+NH4]+ 223.071323 153.3
[M+K]+ 244.000658 141.5
[M+H-H2O]+ 188.034760 136.1
[M+HCOO]- 250.035701 159.5
[M+CH3COO]- 264.051351 180.9
[M+Na-2H]- 226.012166 146.6
[M]+ 205.03695142 139.0
[M]- 205.03804858 139.0
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