CID 73668

Flurprimidol

Structural Information

Molecular Formula
C15H15F3N2O2
SMILES
CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O
InChI
InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3
InChIKey
VEVZCONIUDBCDC-UHFFFAOYSA-N
Compound name
2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

17273
Patents

312.10855 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11583 169.6
[M+Na]+ 335.09777 176.8
[M-H]- 311.10127 168.4
[M+NH4]+ 330.14237 180.4
[M+K]+ 351.07171 172.6
[M+H-H2O]+ 295.10581 158.6
[M+HCOO]- 357.10675 182.3
[M+CH3COO]- 371.12240 202.2
[M+Na-2H]- 333.08322 174.7
[M]+ 312.10800 166.2
[M]- 312.10910 166.2
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