CID 213771

27033-86-9

Structural Information

Molecular Formula
C11H12BrClN2
SMILES
CN1CCCC1=NC2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C11H12BrClN2/c1-15-6-2-3-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3
InChIKey
AQNJQACZEIPLPI-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.98724 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99452 156.7
[M+Na]+ 308.97646 169.4
[M-H]- 284.97996 165.9
[M+NH4]+ 304.02106 178.2
[M+K]+ 324.95040 156.3
[M+H-H2O]+ 268.98450 155.9
[M+HCOO]- 330.98544 174.4
[M+CH3COO]- 345.00109 198.7
[M+Na-2H]- 306.96191 161.0
[M]+ 285.98669 175.3
[M]- 285.98779 175.3
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.