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]+ 206.04478 146.0
[M+Na]+ 228.02672 160.4
[M+NH4]+ 223.07132 156.8
[M+K]+ 244.00066 158.3
[M-H]- 204.03022 157.9
[M+Na-2H]- 226.01217 154.3
[M]+ 205.03695 152.6
[M]- 205.03805 152.6
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