CID 91699

Triflumizole

Structural Information

Molecular Formula
C15H15ClF3N3O
SMILES
CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2
InChI
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3
InChIKey
HSMVPDGQOIQYSR-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

39
References

36545
Patents

345.08557 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09285 175.8
[M+Na]+ 368.07479 184.7
[M-H]- 344.07829 177.2
[M+NH4]+ 363.11939 189.5
[M+K]+ 384.04873 178.9
[M+H-H2O]+ 328.08283 164.4
[M+HCOO]- 390.08377 190.4
[M+CH3COO]- 404.09942 212.0
[M+Na-2H]- 366.06024 177.5
[M]+ 345.08502 177.1
[M]- 345.08612 177.1
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.