CID 11312

2,6-dinitrophenol

Structural Information

Molecular Formula
C6H4N2O5
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H
InChIKey
JCRIDWXIBSEOEG-UHFFFAOYSA-N
Compound name
2,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

30
References

1290
Patents

184.01202 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01930 136.1
[M+Na]+ 207.00124 149.2
[M+NH4]+ 202.04584 143.2
[M+K]+ 222.97518 149.7
[M-H]- 183.00474 139.4
[M+Na-2H]- 204.98669 141.2
[M]+ 184.01147 138.5
[M]- 184.01257 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe