CID 71743382

4-chloro-6-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3ClF2N2
SMILES
C1=C(N=CN=C1Cl)C(F)F
InChI
InChI=1S/C5H3ClF2N2/c6-4-1-3(5(7)8)9-2-10-4/h1-2,5H
InChIKey
BCHVKKJYBOONJO-UHFFFAOYSA-N
Compound name
4-chloro-6-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

163.99529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.00257 123.3
[M+Na]+ 186.98451 133.9
[M-H]- 162.98801 121.7
[M+NH4]+ 182.02911 142.1
[M+K]+ 202.95845 130.4
[M+H-H2O]+ 146.99255 115.4
[M+HCOO]- 208.99349 138.7
[M+CH3COO]- 223.00914 176.0
[M+Na-2H]- 184.96996 130.4
[M]+ 163.99474 122.1
[M]- 163.99584 122.1
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

patents stripe