CID 12900

2,4-dinitro-6-phenylphenol

Structural Information

Molecular Formula
C12H8N2O5
SMILES
C1=CC=C(C=C1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C12H8N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-7,15H
InChIKey
HXNGWMWUICJCDR-UHFFFAOYSA-N
Compound name
2,4-dinitro-6-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

260.04333 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.050606 154.6
[M+Na]+ 283.032548 160.5
[M-H]- 259.036054 160.4
[M+NH4]+ 278.077153 168.2
[M+K]+ 299.006488 149.5
[M+H-H2O]+ 243.040590 156.1
[M+HCOO]- 305.041531 179.4
[M+CH3COO]- 319.057181 182.8
[M+Na-2H]- 281.017996 163.0
[M]+ 260.04278142 151.1
[M]- 260.04387858 151.1
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