CID 45080449

4,6-difluoro-5-methylpyrimidine

Structural Information

Molecular Formula
C5H4F2N2
SMILES
CC1=C(N=CN=C1F)F
InChI
InChI=1S/C5H4F2N2/c1-3-4(6)8-2-9-5(3)7/h2H,1H3
InChIKey
FJIZSGSZCDMMMY-UHFFFAOYSA-N
Compound name
4,6-difluoro-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

130.03426 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.041536 118.8
[M+Na]+ 153.023478 130.0
[M-H]- 129.026984 117.9
[M+NH4]+ 148.068083 138.7
[M+K]+ 168.997418 128.0
[M+H-H2O]+ 113.031520 110.7
[M+HCOO]- 175.032461 140.0
[M+CH3COO]- 189.048111 172.4
[M+Na-2H]- 151.008926 126.8
[M]+ 130.03371142 116.8
[M]- 130.03480858 116.8
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