CID 9492

2,5-dinitrophenol

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

11
References

1092
Patents

184.01202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.019296 133.1
[M+Na]+ 207.001238 140.3
[M-H]- 183.004744 136.1
[M+NH4]+ 202.045843 150.1
[M+K]+ 222.975178 131.0
[M+H-H2O]+ 167.009280 136.6
[M+HCOO]- 229.010221 158.7
[M+CH3COO]- 243.025871 167.8
[M+Na-2H]- 204.986686 142.7
[M]+ 184.01147142 129.7
[M]- 184.01256858 129.7
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