CID 139597249

Ns00000828

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
C1=CC(=CC(=C1)NC2=NC=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O/c13-12(14,15)8-2-1-3-9(6-8)17-11-5-4-10(18)7-16-11/h1-7,18H,(H,16,17)
InChIKey
TZRXLRFBKQFZJF-UHFFFAOYSA-N
Compound name
6-[3-(trifluoromethyl)anilino]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.073976 151.7
[M+Na]+ 277.055918 160.5
[M-H]- 253.059424 152.4
[M+NH4]+ 272.100523 166.4
[M+K]+ 293.029858 155.4
[M+H-H2O]+ 237.063960 141.6
[M+HCOO]- 299.064901 170.4
[M+CH3COO]- 313.080551 193.2
[M+Na-2H]- 275.041366 158.3
[M]+ 254.06615142 146.3
[M]- 254.06724858 146.3
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.