CID 6536929

Brn 2268441

Structural Information

Molecular Formula
C12H16Cl2N2
SMILES
C/C(=N/N(CCCl)CCCl)/C1=CC=CC=C1
InChI
InChI=1S/C12H16Cl2N2/c1-11(12-5-3-2-4-6-12)15-16(9-7-13)10-8-14/h2-6H,7-10H2,1H3/b15-11-
InChIKey
MGMOZLMVTHGLLV-PTNGSMBKSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[(Z)-1-phenylethylideneamino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07634 157.8
[M+Na]+ 281.05828 170.3
[M+NH4]+ 276.10288 166.9
[M+K]+ 297.03222 161.6
[M-H]- 257.06178 161.6
[M+Na-2H]- 279.04373 165.3
[M]+ 258.06851 161.2
[M]- 258.06961 161.2
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.