CID 15390131

Diflumetorim

Structural Information

Molecular Formula
C15H16ClF2N3O
SMILES
CCC(C1=CC=C(C=C1)OC(F)F)NC2=NC=NC(=C2Cl)C
InChI
InChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)
InChIKey
NEKULYKCZPJMMJ-UHFFFAOYSA-N
Compound name
5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16781
Patents

327.095 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10228 171.2
[M+Na]+ 350.08422 179.5
[M-H]- 326.08772 172.5
[M+NH4]+ 345.12882 183.1
[M+K]+ 366.05816 173.7
[M+H-H2O]+ 310.09226 160.5
[M+HCOO]- 372.09320 185.0
[M+CH3COO]- 386.10885 211.4
[M+Na-2H]- 348.06967 173.2
[M]+ 327.09445 172.4
[M]- 327.09555 172.4
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