CID 51063682

4-{[4-(trifluoromethyl)pyrimidin-2-yl]oxy}aniline

Structural Information

Molecular Formula
C11H8F3N3O
SMILES
C1=CC(=CC=C1N)OC2=NC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C11H8F3N3O/c12-11(13,14)9-5-6-16-10(17-9)18-8-3-1-7(15)2-4-8/h1-6H,15H2
InChIKey
ZQRVRZOKYHSJDM-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06923 152.5
[M+Na]+ 278.05117 162.1
[M-H]- 254.05467 152.7
[M+NH4]+ 273.09577 166.2
[M+K]+ 294.02511 157.5
[M+H-H2O]+ 238.05921 141.3
[M+HCOO]- 300.06015 171.0
[M+CH3COO]- 314.07580 194.8
[M+Na-2H]- 276.03662 159.1
[M]+ 255.06140 148.1
[M]- 255.06250 148.1
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