CID 155166631

2-chloro-5-(2,2-difluoroethoxy)pyrimidine

Structural Information

Molecular Formula
C6H5ClF2N2O
SMILES
C1=C(C=NC(=N1)Cl)OCC(F)F
InChI
InChI=1S/C6H5ClF2N2O/c7-6-10-1-4(2-11-6)12-3-5(8)9/h1-2,5H,3H2
InChIKey
NNAQCZSCWWEHEQ-UHFFFAOYSA-N
Compound name
2-chloro-5-(2,2-difluoroethoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

194.00584 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01312 130.9
[M+Na]+ 216.99506 141.0
[M-H]- 192.99856 129.2
[M+NH4]+ 212.03966 148.5
[M+K]+ 232.96900 137.8
[M+H-H2O]+ 177.00310 122.6
[M+HCOO]- 239.00404 146.3
[M+CH3COO]- 253.01969 180.9
[M+Na-2H]- 214.98051 137.4
[M]+ 194.00529 131.5
[M]- 194.00639 131.5
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