CID 231884

2,2',4,4'-tetranitrobenzophenone

Structural Information

Molecular Formula
C13H6N4O9
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H6N4O9/c18-13(9-3-1-7(14(19)20)5-11(9)16(23)24)10-4-2-8(15(21)22)6-12(10)17(25)26/h1-6H
InChIKey
FAFWLBOSKDZHKI-UHFFFAOYSA-N
Compound name
bis(2,4-dinitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

362.0135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02078 187.7
[M+Na]+ 385.00272 195.5
[M-H]- 361.00622 193.9
[M+NH4]+ 380.04732 197.5
[M+K]+ 400.97666 191.1
[M+H-H2O]+ 345.01076 165.3
[M+HCOO]- 407.01170 205.9
[M+CH3COO]- 421.02735 196.6
[M+Na-2H]- 382.98817 186.1
[M]+ 362.01295 176.4
[M]- 362.01405 176.4
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