CID 13783710

131549-75-2

Structural Information

Molecular Formula
C12H14ClF3N2O
SMILES
CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N
InChI
InChI=1S/C12H14ClF3N2O/c1-2-5-19-7-11(17)18-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H2,17,18)
InChIKey
IUACFNXZIIQVDL-UHFFFAOYSA-N
Compound name
N'-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

294.07468 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08196 162.5
[M+Na]+ 317.06390 170.7
[M-H]- 293.06740 163.0
[M+NH4]+ 312.10850 179.0
[M+K]+ 333.03784 165.9
[M+H-H2O]+ 277.07194 154.1
[M+HCOO]- 339.07288 179.1
[M+CH3COO]- 353.08853 207.3
[M+Na-2H]- 315.04935 164.8
[M]+ 294.07413 161.6
[M]- 294.07523 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.