CID 213781

Brn 1535625

Structural Information

Molecular Formula
C13H14ClFN2
SMILES
C=CCN1CCCC1=NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C13H14ClFN2/c1-2-7-17-8-3-4-13(17)16-10-5-6-12(15)11(14)9-10/h2,5-6,9H,1,3-4,7-8H2
InChIKey
VZQKKMPLACHZAT-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-1-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08295 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09023 156.6
[M+Na]+ 275.07217 165.3
[M-H]- 251.07567 161.6
[M+NH4]+ 270.11677 175.6
[M+K]+ 291.04611 159.3
[M+H-H2O]+ 235.08021 148.3
[M+HCOO]- 297.08115 175.0
[M+CH3COO]- 311.09680 197.1
[M+Na-2H]- 273.05762 158.0
[M]+ 252.08240 155.4
[M]- 252.08350 155.4
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.