CID 61190

2,3,4,6-tetranitrophenol

Structural Information

Molecular Formula
C6H2N4O9
SMILES
C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H2N4O9/c11-6-3(8(14)15)1-2(7(12)13)4(9(16)17)5(6)10(18)19/h1,11H
InChIKey
PXPBDJVBNWDUFM-UHFFFAOYSA-N
Compound name
2,3,4,6-tetranitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

273.98218 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98946 186.0
[M+Na]+ 296.97140 191.2
[M-H]- 272.97490 190.9
[M+NH4]+ 292.01600 192.4
[M+K]+ 312.94534 187.4
[M+H-H2O]+ 256.97944 161.0
[M+HCOO]- 318.98038 202.1
[M+CH3COO]- 332.99603 180.1
[M+Na-2H]- 294.95685 183.1
[M]+ 273.98163 174.2
[M]- 273.98273 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.