CID 47325

64253-15-2

Structural Information

Molecular Formula
C16H17Cl2N3
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C16H17Cl2N3/c17-10-12-21(13-11-18)16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKey
XZWPPGBKMFWNGY-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07996 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08724 175.8
[M+Na]+ 344.06918 182.4
[M-H]- 320.07268 184.7
[M+NH4]+ 339.11378 192.1
[M+K]+ 360.04312 177.1
[M+H-H2O]+ 304.07722 167.5
[M+HCOO]- 366.07816 196.3
[M+CH3COO]- 380.09381 218.6
[M+Na-2H]- 342.05463 181.5
[M]+ 321.07941 181.6
[M]- 321.08051 181.6
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.