CID 9568260

Nsc 81993

Structural Information

Molecular Formula
C13H16Cl2N2
SMILES
C1CCCN(CC1)/N=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2/c14-12-6-5-11(13(15)9-12)10-16-17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8H2/b16-10+
InChIKey
WYMKISIWQJPKOC-MHWRWJLKSA-N
Compound name
(E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06906 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07634 158.6
[M+Na]+ 293.05828 165.4
[M-H]- 269.06178 164.0
[M+NH4]+ 288.10288 174.3
[M+K]+ 309.03222 164.1
[M+H-H2O]+ 253.06632 150.4
[M+HCOO]- 315.06726 170.6
[M+CH3COO]- 329.08291 169.2
[M+Na-2H]- 291.04373 161.9
[M]+ 270.06851 154.7
[M]- 270.06961 154.7
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.