CID 3053021

As-triazine, 3-methoxy-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Structural Information

Molecular Formula
C11H8F3N3O
SMILES
COC1=NC(=CN=N1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H8F3N3O/c1-18-10-16-9(6-15-17-10)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3
InChIKey
ANYPJWFRQWECTK-UHFFFAOYSA-N
Compound name
3-methoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

255.06195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.069226 153.4
[M+Na]+ 278.051168 163.9
[M-H]- 254.054674 152.7
[M+NH4]+ 273.095773 166.3
[M+K]+ 294.025108 159.4
[M+H-H2O]+ 238.059210 141.6
[M+HCOO]- 300.060151 170.0
[M+CH3COO]- 314.075801 193.4
[M+Na-2H]- 276.036616 160.5
[M]+ 255.06140142 151.1
[M]- 255.06249858 151.1
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

patents stripe