CID 71742924

2-chloro-4-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3ClF2N2
SMILES
C1=CN=C(N=C1C(F)F)Cl
InChI
InChI=1S/C5H3ClF2N2/c6-5-9-2-1-3(10-5)4(7)8/h1-2,4H
InChIKey
YYTUPWKEZBXDOA-UHFFFAOYSA-N
Compound name
2-chloro-4-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
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

literature stripe

Patent stripe

patents stripe