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 136.1
[M+Na]+ 228.02672 147.2
[M-H]- 204.03022 144.9
[M+NH4]+ 223.07132 153.3
[M+K]+ 244.00066 141.5
[M+H-H2O]+ 188.03476 136.1
[M+HCOO]- 250.03570 159.5
[M+CH3COO]- 264.05135 180.9
[M+Na-2H]- 226.01217 146.6
[M]+ 205.03695 139.0
[M]- 205.03805 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