CID 9554856

Nsc204510

Structural Information

Molecular Formula
C14H11ClN4O4
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])N/N=C/C2=CC=CC=C2Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN4O4/c1-9-6-12(18(20)21)14(13(7-9)19(22)23)17-16-8-10-4-2-3-5-11(10)15/h2-8,17H,1H3/b16-8+
InChIKey
SGOXVBYJUWZHHS-LZYBPNLTSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methyl-2,6-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.04688 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05416 175.7
[M+Na]+ 357.03610 190.5
[M+NH4]+ 352.08070 182.9
[M+K]+ 373.01004 187.7
[M-H]- 333.03960 183.3
[M+Na-2H]- 355.02155 183.2
[M]+ 334.04633 180.0
[M]- 334.04743 180.0
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.