CID 38445

7-nitro-1-tetralone

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2

InChIKey

GWAQYWSNCVEJMW-UHFFFAOYSA-N

Compound name

7-nitro-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 682
Patents: 191.05824 Da
Monoisotopic Mass: 1.9
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]+	192.06552	136.2
[M+Na]+	214.04746	143.2
[M-H]-	190.05096	140.7
[M+NH4]+	209.09206	155.9
[M+K]+	230.02140	136.9
[M+H-H2O]+	174.05550	135.0
[M+HCOO]-	236.05644	158.9
[M+CH3COO]-	250.07209	177.2
[M+Na-2H]-	212.03291	144.7
[M]+	191.05769	132.8
[M]-	191.05879	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe