CID 70655

1-(2,4-dinitrophenyl)-2-methylenehydrazine

Structural Information

Molecular Formula
C7H6N4O4
SMILES
C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2
InChIKey
UEQLSLWCHGLSML-UHFFFAOYSA-N
Compound name
N-(methylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

90
Patents

210.03891 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04619 139.0
[M+Na]+ 233.02813 144.9
[M-H]- 209.03163 144.1
[M+NH4]+ 228.07273 155.3
[M+K]+ 249.00207 136.0
[M+H-H2O]+ 193.03617 140.9
[M+HCOO]- 255.03711 168.8
[M+CH3COO]- 269.05276 182.5
[M+Na-2H]- 231.01358 149.6
[M]+ 210.03836 135.7
[M]- 210.03946 135.7
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