CID 6536974

Brn 2262657

Structural Information

Molecular Formula
C11H14Cl2N2
SMILES
C1=CC=C(C=C1)/C=N\N(CCCl)CCCl
InChI
InChI=1S/C11H14Cl2N2/c12-6-8-15(9-7-13)14-10-11-4-2-1-3-5-11/h1-5,10H,6-9H2/b14-10-
InChIKey
FCFRJDGDNYTPSE-UVTDQMKNSA-N
Compound name
N-[(Z)-benzylideneamino]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0534 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06068 154.6
[M+Na]+ 267.04262 161.5
[M-H]- 243.04612 159.4
[M+NH4]+ 262.08722 173.9
[M+K]+ 283.01656 157.0
[M+H-H2O]+ 227.05066 148.7
[M+HCOO]- 289.05160 172.9
[M+CH3COO]- 303.06725 200.0
[M+Na-2H]- 265.02807 160.4
[M]+ 244.05285 159.2
[M]- 244.05395 159.2
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.