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

24
Patents

194.00584 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.013116 130.9
[M+Na]+ 216.995058 141.0
[M-H]- 192.998564 129.2
[M+NH4]+ 212.039663 148.5
[M+K]+ 232.968998 137.8
[M+H-H2O]+ 177.003100 122.6
[M+HCOO]- 239.004041 146.3
[M+CH3COO]- 253.019691 180.9
[M+Na-2H]- 214.980506 137.4
[M]+ 194.00529142 131.5
[M]- 194.00638858 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