CID 213793

Brn 1539717

Structural Information

Molecular Formula
C13H16ClFN2
SMILES
CCCN1CCCC1=NC2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C13H16ClFN2/c1-2-7-17-8-3-4-13(17)16-12-6-5-10(15)9-11(12)14/h5-6,9H,2-4,7-8H2,1H3
InChIKey
QPWPQMOLDNRDBD-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10588 157.5
[M+Na]+ 277.08782 166.0
[M-H]- 253.09132 162.5
[M+NH4]+ 272.13242 176.5
[M+K]+ 293.06176 160.6
[M+H-H2O]+ 237.09586 149.2
[M+HCOO]- 299.09680 175.7
[M+CH3COO]- 313.11245 198.0
[M+Na-2H]- 275.07327 158.9
[M]+ 254.09805 157.1
[M]- 254.09915 157.1
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.