CID 9570608

Nitroformaldehyde (p-chlorophenyl)hydrazone

Structural Information

Molecular Formula
C7H6ClN3O2
SMILES
C1=CC(=CC=C1N/N=C/[N+](=O)[O-])Cl
InChI
InChI=1S/C7H6ClN3O2/c8-6-1-3-7(4-2-6)10-9-5-11(12)13/h1-5,10H/b9-5+
InChIKey
QCINVSXGBZILCJ-WEVVVXLNSA-N
Compound name
4-chloro-N-[(E)-nitromethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.01485 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02213 137.8
[M+Na]+ 222.00407 145.1
[M-H]- 198.00757 142.6
[M+NH4]+ 217.04867 156.9
[M+K]+ 237.97801 138.4
[M+H-H2O]+ 182.01211 136.8
[M+HCOO]- 244.01305 163.2
[M+CH3COO]- 258.02870 182.1
[M+Na-2H]- 219.98952 147.4
[M]+ 199.01430 137.8
[M]- 199.01540 137.8
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

No patent data available for this compound.