CID 6444997

32280-73-2

Structural Information

Molecular Formula
C14H13Cl2F3N2
SMILES
C1CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N(C1)C/C=C/Cl
InChI
InChI=1S/C14H13Cl2F3N2/c15-6-2-8-21-7-1-3-13(21)20-12-5-4-10(16)9-11(12)14(17,18)19/h2,4-6,9H,1,3,7-8H2/b6-2+,20-13?
InChIKey
QHAGDIODZWSVTC-YJPRLAQWSA-N
Compound name
1-[(E)-3-chloroprop-2-enyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0408 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04808 174.1
[M+Na]+ 359.03002 183.3
[M-H]- 335.03352 175.7
[M+NH4]+ 354.07462 190.1
[M+K]+ 375.00396 175.3
[M+H-H2O]+ 319.03806 164.5
[M+HCOO]- 381.03900 183.3
[M+CH3COO]- 395.05465 208.9
[M+Na-2H]- 357.01547 173.7
[M]+ 336.04025 171.6
[M]- 336.04135 171.6
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.