CID 155943940

2,4-dichloro-6-methyl-5-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C6H3Cl2F3N2
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C6H3Cl2F3N2/c1-2-3(6(9,10)11)4(7)13-5(8)12-2/h1H3
InChIKey
HFUJYRPWXSFLDH-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methyl-5-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.96254 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96982 135.6
[M+Na]+ 252.95176 148.6
[M-H]- 228.95526 132.9
[M+NH4]+ 247.99636 152.9
[M+K]+ 268.92570 143.1
[M+H-H2O]+ 212.95980 127.9
[M+HCOO]- 274.96074 143.9
[M+CH3COO]- 288.97639 187.6
[M+Na-2H]- 250.93721 141.1
[M]+ 229.96199 135.3
[M]- 229.96309 135.3
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

patents stripe