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

57
Patents

165.04259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 129.7
[M+Na]+ 188.03181 137.4
[M-H]- 164.03531 135.2
[M+NH4]+ 183.07641 151.0
[M+K]+ 204.00575 133.1
[M+H-H2O]+ 148.03985 129.3
[M+HCOO]- 210.04079 154.3
[M+CH3COO]- 224.05644 170.6
[M+Na-2H]- 186.01726 139.6
[M]+ 165.04204 128.7
[M]- 165.04314 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