CID 51063682

1215670-87-3

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]+ 256.069226 152.5
[M+Na]+ 278.051168 162.1
[M-H]- 254.054674 152.7
[M+NH4]+ 273.095773 166.2
[M+K]+ 294.025108 157.5
[M+H-H2O]+ 238.059210 141.3
[M+HCOO]- 300.060151 171.0
[M+CH3COO]- 314.075801 194.8
[M+Na-2H]- 276.036616 159.1
[M]+ 255.06140142 148.1
[M]- 255.06249858 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