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 159.4
[M+Na]+ 281.05828 165.7
[M-H]- 257.06178 164.2
[M+NH4]+ 276.10288 178.1
[M+K]+ 297.03222 161.3
[M+H-H2O]+ 241.06632 153.5
[M+HCOO]- 303.06726 176.5
[M+CH3COO]- 317.08291 203.7
[M+Na-2H]- 279.04373 163.5
[M]+ 258.06851 163.9
[M]- 258.06961 163.9
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.