CID 9571178

6343-05-1

Structural Information

Molecular Formula
C16H14Cl2N6
SMILES
C1=CC(=CC=C1/C=N/N=C(\N)/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl
InChI
InChI=1S/C16H14Cl2N6/c17-13-5-1-11(2-6-13)9-21-23-15(19)16(20)24-22-10-12-3-7-14(18)8-4-12/h1-10H,(H2,19,23)(H2,20,24)/b21-9+,22-10+
InChIKey
XHFZIWQWSZRZCA-VGENTYGXSA-N
Compound name
1-N',2-N'-bis[(E)-(4-chlorophenyl)methylideneamino]ethanediimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.0657 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07298 189.6
[M+Na]+ 383.05492 195.9
[M-H]- 359.05842 199.4
[M+NH4]+ 378.09952 203.7
[M+K]+ 399.02886 190.1
[M+H-H2O]+ 343.06296 180.9
[M+HCOO]- 405.06390 212.9
[M+CH3COO]- 419.07955 231.9
[M+Na-2H]- 381.04037 192.7
[M]+ 360.06515 190.9
[M]- 360.06625 190.9
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.