CID 48514

66941-45-5

Structural Information

Molecular Formula
C14H12Cl2N2O
SMILES
CC1=C(C=C(C=C1)Cl)N=[N+](C2=C(C=CC(=C2)Cl)C)[O-]
InChI
InChI=1S/C14H12Cl2N2O/c1-9-3-5-11(15)7-13(9)17-18(19)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKey
CFFSAOVQVGGOBT-UHFFFAOYSA-N
Compound name
(5-chloro-2-methylphenyl)-(5-chloro-2-methylphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.03265 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.039926 167.0
[M+Na]+ 317.021868 175.9
[M-H]- 293.025374 174.1
[M+NH4]+ 312.066473 183.5
[M+K]+ 332.995808 166.0
[M+H-H2O]+ 277.029910 165.5
[M+HCOO]- 339.030851 184.6
[M+CH3COO]- 353.046501 201.0
[M+Na-2H]- 315.007316 171.6
[M]+ 294.03210142 169.7
[M]- 294.03319858 169.7
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.