CID 6451541

Einecs 276-592-1

Structural Information

Molecular Formula
C16H16Cl2N3O
SMILES
CCN(CC)C1=C(C=C(C(=C1)Cl)[N+]#N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16Cl2N3O/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3/q+1
InChIKey
NWAOYNHGRMRXTM-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

336.06705 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07433 181.4
[M+Na]+ 359.05627 192.4
[M-H]- 335.05977 188.4
[M+NH4]+ 354.10087 195.3
[M+K]+ 375.03021 181.3
[M+H-H2O]+ 319.06431 170.6
[M+HCOO]- 381.06525 195.7
[M+CH3COO]- 395.08090 221.5
[M+Na-2H]- 357.04172 185.2
[M]+ 336.06650 182.0
[M]- 336.06760 182.0
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

patents stripe