CID 5728636

303105-18-2

Structural Information

Molecular Formula
C12H11F3N4
SMILES
CC1=NN=C(N1/N=C/C2=CC=C(C=C2)C(F)(F)F)C
InChI
InChI=1S/C12H11F3N4/c1-8-17-18-9(2)19(8)16-7-10-3-5-11(6-4-10)12(13,14)15/h3-7H,1-2H3/b16-7+
InChIKey
KOFISCRSDVOSKS-FRKPEAEDSA-N
Compound name
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.09357 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10085 157.4
[M+Na]+ 291.08279 168.2
[M-H]- 267.08629 158.5
[M+NH4]+ 286.12739 172.4
[M+K]+ 307.05673 163.6
[M+H-H2O]+ 251.09083 145.8
[M+HCOO]- 313.09177 177.1
[M+CH3COO]- 327.10742 201.3
[M+Na-2H]- 289.06824 161.5
[M]+ 268.09302 155.7
[M]- 268.09412 155.7
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

patents stripe