CID 6870110

2-nitrobenzaldehyde semicarbazone

Structural Information

Molecular Formula
C8H8N4O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H3,9,11,13)/b10-5+
InChIKey
OEOKLBSECDAYSM-BJMVGYQFSA-N
Compound name
[(E)-(2-nitrophenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.05965 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 138.7
[M+Na]+ 231.04887 144.2
[M-H]- 207.05237 143.4
[M+NH4]+ 226.09347 155.9
[M+K]+ 247.02281 139.1
[M+H-H2O]+ 191.05691 136.0
[M+HCOO]- 253.05785 168.1
[M+CH3COO]- 267.07350 186.7
[M+Na-2H]- 229.03432 147.0
[M]+ 208.05910 135.1
[M]- 208.06020 135.1
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

patents stripe