CID 168486754

2-chloro-5-(chlorodifluoromethoxy)pyrimidine

Structural Information

Molecular Formula
C5H2Cl2F2N2O
SMILES
C1=C(C=NC(=N1)Cl)OC(F)(F)Cl
InChI
InChI=1S/C5H2Cl2F2N2O/c6-4-10-1-3(2-11-4)12-5(7,8)9/h1-2H
InChIKey
QCVFNEOFJYFONK-UHFFFAOYSA-N
Compound name
2-chloro-5-[chloro(difluoro)methoxy]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.95122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95850 131.9
[M+Na]+ 236.94044 143.2
[M-H]- 212.94394 129.9
[M+NH4]+ 231.98504 149.1
[M+K]+ 252.91438 138.9
[M+H-H2O]+ 196.94848 124.6
[M+HCOO]- 258.94942 141.7
[M+CH3COO]- 272.96507 182.3
[M+Na-2H]- 234.92589 139.9
[M]+ 213.95067 133.0
[M]- 213.95177 133.0
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.