CID 135771906

908564-54-5

Structural Information

Molecular Formula
C16H12FN3O
SMILES
C1=CC=C(C(=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)F)N)O
InChI
InChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)13-9-14(20-16(18)19-13)12-3-1-2-4-15(12)21/h1-9,21H,(H2,18,19,20)
InChIKey
UYDFACMBNPDCNB-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09644 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10372 164.3
[M+Na]+ 304.08566 173.9
[M-H]- 280.08916 169.2
[M+NH4]+ 299.13026 176.2
[M+K]+ 320.05960 167.0
[M+H-H2O]+ 264.09370 153.5
[M+HCOO]- 326.09464 184.6
[M+CH3COO]- 340.11029 175.2
[M+Na-2H]- 302.07111 169.4
[M]+ 281.09589 160.9
[M]- 281.09699 160.9
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.