CID 167329

15663-61-3

Structural Information

Molecular Formula
C14H12Cl2N3O
SMILES
CN(C)C1=C(C=C(C(=C1)Cl)[N+]#N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12Cl2N3O/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10/h3-8H,1-2H3/q+1
InChIKey
SXJZZHMXCTXPBG-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

308.03574 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04302 173.3
[M+Na]+ 331.02496 185.0
[M-H]- 307.02846 180.6
[M+NH4]+ 326.06956 188.2
[M+K]+ 346.99890 174.4
[M+H-H2O]+ 291.03300 162.9
[M+HCOO]- 353.03394 188.2
[M+CH3COO]- 367.04959 216.3
[M+Na-2H]- 329.01041 178.0
[M]+ 308.03519 173.3
[M]- 308.03629 173.3
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

patents stripe