CID 135554561

P-(di(2-chloroethyl)amino)benzylideneferrocenylamine

Structural Information

Molecular Formula
C16H18Cl2N2
SMILES
C1C=CC(=C1)N=CC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C16H18Cl2N2/c17-9-11-20(12-10-18)16-7-5-14(6-8-16)13-19-15-3-1-2-4-15/h1,3-8,13H,2,9-12H2
InChIKey
ZYNJFYHMVMPTCY-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-(cyclopenta-1,4-dien-1-yliminomethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.08472 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09200 172.3
[M+Na]+ 331.07394 185.7
[M+NH4]+ 326.11854 181.8
[M+K]+ 347.04788 177.1
[M-H]- 307.07744 178.1
[M+Na-2H]- 329.05939 181.1
[M]+ 308.08417 176.5
[M]- 308.08527 176.5
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.