CID 83416

2,3-dihydro-2,2-dimethyl-7-nitrobenzofuran

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC1(CC2=C(O1)C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C10H11NO3/c1-10(2)6-7-4-3-5-8(11(12)13)9(7)14-10/h3-5H,6H2,1-2H3

InChIKey

ZQZNLPNVEXRNNG-UHFFFAOYSA-N

Compound name

2,2-dimethyl-7-nitro-3H-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 193.0739 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.08118	138.1
[M+Na]+	216.06312	151.2
[M+NH4]+	211.10772	148.7
[M+K]+	232.03706	147.9
[M-H]-	192.06662	142.8
[M+Na-2H]-	214.04857	144.3
[M]+	193.07335	141.4
[M]-	193.07445	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe