CID 91683

Nuarimol

Structural Information

Molecular Formula
C17H12ClFN2O
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl
InChI
InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
InChIKey
SAPGTCDSBGMXCD-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

33338
Patents

314.06223 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06951 169.9
[M+Na]+ 337.05145 179.1
[M-H]- 313.05495 174.2
[M+NH4]+ 332.09605 181.3
[M+K]+ 353.02539 171.3
[M+H-H2O]+ 297.05949 159.4
[M+HCOO]- 359.06043 183.0
[M+CH3COO]- 373.07608 180.2
[M+Na-2H]- 335.03690 176.6
[M]+ 314.06168 169.3
[M]- 314.06278 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe