CID 214733

Brn 1476297

Structural Information

Molecular Formula
C15H19ClF2N2
SMILES
CCCCN1CCCC1=NC2=CC(=C(C=C2)Cl)C(F)F
InChI
InChI=1S/C15H19ClF2N2/c1-2-3-8-20-9-4-5-14(20)19-11-6-7-13(16)12(10-11)15(17)18/h6-7,10,15H,2-5,8-9H2,1H3
InChIKey
VKFGXVUUFZNRSI-UHFFFAOYSA-N
Compound name
1-butyl-N-[4-chloro-3-(difluoromethyl)phenyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.12048 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12776 169.3
[M+Na]+ 323.10970 176.6
[M-H]- 299.11320 172.6
[M+NH4]+ 318.15430 186.2
[M+K]+ 339.08364 170.7
[M+H-H2O]+ 283.11774 159.7
[M+HCOO]- 345.11868 184.8
[M+CH3COO]- 359.13433 207.5
[M+Na-2H]- 321.09515 167.9
[M]+ 300.11993 167.9
[M]- 300.12103 167.9
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

patents stripe