CID 57347103

4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C6H3Cl2F3N2
SMILES
C1=C(N=C(N=C1Cl)CCl)C(F)(F)F
InChI
InChI=1S/C6H3Cl2F3N2/c7-2-5-12-3(6(9,10)11)1-4(8)13-5/h1H,2H2
InChIKey
YCPDXWNOHPCYHM-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96254 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96982 135.8
[M+Na]+ 252.95176 147.8
[M-H]- 228.95526 132.6
[M+NH4]+ 247.99636 152.8
[M+K]+ 268.92570 142.2
[M+H-H2O]+ 212.95980 127.7
[M+HCOO]- 274.96074 144.1
[M+CH3COO]- 288.97639 186.5
[M+Na-2H]- 250.93721 141.9
[M]+ 229.96199 135.1
[M]- 229.96309 135.1
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

No patent data available for this compound.