CID 165182

2-methoxy-4,6-dinitrophenol

Structural Information

Molecular Formula
C7H6N2O6
SMILES
COC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3
InChIKey
ASODNZCPFZQUKR-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

214.02258 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02986 140.3
[M+Na]+ 237.01180 147.6
[M-H]- 213.01530 143.5
[M+NH4]+ 232.05640 156.3
[M+K]+ 252.98574 138.7
[M+H-H2O]+ 197.01984 143.5
[M+HCOO]- 259.02078 165.7
[M+CH3COO]- 273.03643 174.0
[M+Na-2H]- 234.99725 149.1
[M]+ 214.02203 138.8
[M]- 214.02313 138.8
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