CID 213765

Brn 1532046

Structural Information

Molecular Formula
C11H11Cl3N2
SMILES
CN1CCCC1=NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C11H11Cl3N2/c1-16-4-2-3-11(16)15-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3
InChIKey
XEUCIMGCCPUZBU-UHFFFAOYSA-N
Compound name
1-methyl-N-(2,4,5-trichlorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.99878 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00606 162.3
[M+Na]+ 298.98800 172.5
[M-H]- 274.99150 166.9
[M+NH4]+ 294.03260 180.8
[M+K]+ 314.96194 165.9
[M+H-H2O]+ 258.99604 156.1
[M+HCOO]- 320.99698 171.1
[M+CH3COO]- 335.01263 173.8
[M+Na-2H]- 296.97345 162.3
[M]+ 275.99823 163.4
[M]- 275.99933 163.4
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.