CID 6861422

2-chlorobenzaldehyde azine

Structural Information

Molecular Formula
C14H10Cl2N2
SMILES
C1=CC=C(C(=C1)/C=N/N=C/C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C14H10Cl2N2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-10H/b17-9+,18-10+
InChIKey
WQRRWZFEJAGOIY-BEQMOXJMSA-N
Compound name
(E)-1-(2-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.0221 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02938 161.4
[M+Na]+ 299.01132 171.0
[M-H]- 275.01482 169.8
[M+NH4]+ 294.05592 179.6
[M+K]+ 314.98526 164.2
[M+H-H2O]+ 259.01936 154.4
[M+HCOO]- 321.02030 181.2
[M+CH3COO]- 335.03595 204.3
[M+Na-2H]- 296.99677 167.9
[M]+ 276.02155 165.5
[M]- 276.02265 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe