CID 3844776

68683-32-9

Structural Information

Molecular Formula
C12H6N8O12
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])NNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H6N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4,13-14H
InChIKey
MBDNFKYTGJTTQI-UHFFFAOYSA-N
Compound name
1,2-bis(2,4,6-trinitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

454.01053 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.01781 212.3
[M+Na]+ 476.99975 212.9
[M-H]- 453.00325 212.3
[M+NH4]+ 472.04435 213.0
[M+K]+ 492.97369 214.0
[M+H-H2O]+ 437.00779 212.9
[M+HCOO]- 499.00873 214.5
[M+CH3COO]- 513.02438 211.1
[M+Na-2H]- 474.98520 216.9
[M]+ 454.00998 213.1
[M]- 454.01108 213.1
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