CID 6444999

32280-92-5

Structural Information

Molecular Formula
C14H12Cl3F3N2
SMILES
C1CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N(C1)C/C(=C/Cl)/Cl
InChI
InChI=1S/C14H12Cl3F3N2/c15-7-10(17)8-22-5-1-2-13(22)21-12-4-3-9(16)6-11(12)14(18,19)20/h3-4,6-7H,1-2,5,8H2/b10-7-,21-13?
InChIKey
LBVQHZWATZDVIH-NGLDULLHSA-N
Compound name
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(Z)-2,3-dichloroprop-2-enyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.00183 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.00911 180.0
[M+Na]+ 392.99105 188.8
[M-H]- 368.99455 180.5
[M+NH4]+ 388.03565 194.5
[M+K]+ 408.96499 180.4
[M+H-H2O]+ 352.99909 170.9
[M+HCOO]- 415.00003 182.8
[M+CH3COO]- 429.01568 214.3
[M+Na-2H]- 390.97650 177.4
[M]+ 370.00128 177.3
[M]- 370.00238 177.3
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.