CID 213775

Brn 1542612

Structural Information

Molecular Formula
C14H18BrClN2
SMILES
CCCCN1CCCC1=NC2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C14H18BrClN2/c1-2-3-8-18-9-4-5-14(18)17-13-7-6-11(16)10-12(13)15/h6-7,10H,2-5,8-9H2,1H3
InChIKey
UFWANXLSKDEWCQ-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-chlorophenyl)-1-butylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.03418 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04146 170.6
[M+Na]+ 351.02340 181.9
[M-H]- 327.02690 179.1
[M+NH4]+ 346.06800 190.4
[M+K]+ 366.99734 168.1
[M+H-H2O]+ 311.03144 169.1
[M+HCOO]- 373.03238 187.2
[M+CH3COO]- 387.04803 207.0
[M+Na-2H]- 349.00885 173.2
[M]+ 328.03363 190.0
[M]- 328.03473 190.0
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.