CID 3039744

Pyrrolidine, 1-butyl-2-((4-chloro-2-(trifluoromethyl)phenyl)imino)-

Structural Information

Molecular Formula
C15H18ClF3N2
SMILES
CCCCN1CCCC1=NC2=C(C=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C15H18ClF3N2/c1-2-3-8-21-9-4-5-14(21)20-13-7-6-11(16)10-12(13)15(17,18)19/h6-7,10H,2-5,8-9H2,1H3
InChIKey
ZLDLCBFILJYHMT-UHFFFAOYSA-N
Compound name
1-butyl-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11833 172.4
[M+Na]+ 341.10027 180.5
[M-H]- 317.10377 174.6
[M+NH4]+ 336.14487 188.8
[M+K]+ 357.07421 174.2
[M+H-H2O]+ 301.10831 162.3
[M+HCOO]- 363.10925 186.2
[M+CH3COO]- 377.12490 209.1
[M+Na-2H]- 339.08572 172.3
[M]+ 318.11050 169.8
[M]- 318.11160 169.8
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.