CID 213782

Brn 1533965

Structural Information

Molecular Formula
C12H14ClFN2
SMILES
CCN1CCCC1=NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C12H14ClFN2/c1-2-16-7-3-4-12(16)15-9-5-6-11(14)10(13)8-9/h5-6,8H,2-4,7H2,1H3
InChIKey
QXAIJPCZMZQFJG-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-1-ethylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08295 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09023 152.9
[M+Na]+ 263.07217 161.8
[M-H]- 239.07567 158.0
[M+NH4]+ 258.11677 172.4
[M+K]+ 279.04611 156.6
[M+H-H2O]+ 223.08021 144.8
[M+HCOO]- 285.08115 171.4
[M+CH3COO]- 299.09680 195.0
[M+Na-2H]- 261.05762 154.8
[M]+ 240.08240 152.1
[M]- 240.08350 152.1
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.