CID 213779

Brn 1540696

Structural Information

Molecular Formula
C14H18ClFN2
SMILES
CCCCN1CCCC1=NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C14H18ClFN2/c1-2-3-8-18-9-4-5-14(18)17-11-6-7-13(16)12(15)10-11/h6-7,10H,2-5,8-9H2,1H3
InChIKey
ZPEMBYAYPAYOFZ-UHFFFAOYSA-N
Compound name
1-butyl-N-(3-chloro-4-fluorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11426 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12154 162.2
[M+Na]+ 291.10348 170.2
[M-H]- 267.10698 166.9
[M+NH4]+ 286.14808 180.6
[M+K]+ 307.07742 164.5
[M+H-H2O]+ 251.11152 153.6
[M+HCOO]- 313.11246 180.0
[M+CH3COO]- 327.12811 201.0
[M+Na-2H]- 289.08893 163.0
[M]+ 268.11371 162.1
[M]- 268.11481 162.1
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.