CID 21816585

17403-47-3

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1COC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKey
TYPKKUFDAHEIOP-UHFFFAOYSA-N
Compound name
5-nitro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

165.04259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.7
[M+Na]+ 188.031808 137.4
[M-H]- 164.035314 135.2
[M+NH4]+ 183.076413 151.0
[M+K]+ 204.005748 133.1
[M+H-H2O]+ 148.039850 129.3
[M+HCOO]- 210.040791 154.3
[M+CH3COO]- 224.056441 170.6
[M+Na-2H]- 186.017256 139.6
[M]+ 165.04204142 128.7
[M]- 165.04313858 128.7
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