CID 33605

Triarimol

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C1=CC=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)(C3=CN=CN=C3)O
InChI
InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H
InChIKey
MYUPFXPCYUISAG-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-phenyl-pyrimidin-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6836
Patents

330.03265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03993 172.4
[M+Na]+ 353.02187 181.7
[M-H]- 329.02537 177.2
[M+NH4]+ 348.06647 183.7
[M+K]+ 368.99581 173.6
[M+H-H2O]+ 313.02991 163.1
[M+HCOO]- 375.03085 181.4
[M+CH3COO]- 389.04650 182.4
[M+Na-2H]- 351.00732 178.8
[M]+ 330.03210 174.1
[M]- 330.03320 174.1
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