CID 4276443

124501-36-6

Structural Information

Molecular Formula

C₇H₆N₂O₆

SMILES

CC1=C(C(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C7H6N2O6/c1-3-6(10)4(8(12)13)2-5(7(3)11)9(14)15/h2,10-11H,1H3

InChIKey

ODDGTMVJLFKOLT-UHFFFAOYSA-N

Compound name

2-methyl-4,6-dinitrobenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 214.02258 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]+	215.02986	143.7
[M+Na]+	237.01180	150.4
[M+NH4]+	232.05640	152.8
[M+K]+	252.98574	160.2
[M-H]-	213.01530	146.0
[M+Na-2H]-	234.99725	147.0
[M]+	214.02203	145.6
[M]-	214.02313	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe