CID 15757

2,4,2',4'-tetranitrobiphenyl

Structural Information

Molecular Formula
C12H6N4O8
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H6N4O8/c17-13(18)7-1-3-9(11(5-7)15(21)22)10-4-2-8(14(19)20)6-12(10)16(23)24/h1-6H
InChIKey
UDJCKALRMXKDIT-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenyl)-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

334.01855 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02583 190.3
[M+Na]+ 357.00777 198.2
[M-H]- 333.01127 194.7
[M+NH4]+ 352.05237 198.2
[M+K]+ 372.98171 193.0
[M+H-H2O]+ 317.01581 167.4
[M+HCOO]- 379.01675 210.9
[M+CH3COO]- 393.03240 193.1
[M+Na-2H]- 354.99322 188.1
[M]+ 334.01800 179.4
[M]- 334.01910 179.4
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