CID 85134

Hexanitrosobenzene

Structural Information

Molecular Formula

C₆N₆O₆

SMILES

C1(=C(C(=C(C(=C1N=O)N=O)N=O)N=O)N=O)N=O

InChI

InChI=1S/C6N6O6/c13-7-1-2(8-14)4(10-16)6(12-18)5(11-17)3(1)9-15

InChIKey

QJORNKIPCDPSFY-UHFFFAOYSA-N

Compound name

1,2,3,4,5,6-hexanitrosobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 251.98793 Da
Monoisotopic Mass: -1.8
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]+	252.99521	137.6
[M+Na]+	274.97715	148.7
[M-H]-	250.98065	151.3
[M+NH4]+	270.02175	156.8
[M+K]+	290.95109	152.7
[M+H-H2O]+	234.98519	128.2
[M+HCOO]-	296.98613	179.7
[M+CH3COO]-	311.00178	222.2
[M+Na-2H]-	272.96260	149.2
[M]+	251.98738	149.0
[M]-	251.98848	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe