CID 55283624

6-chloro-5-fluoro-2-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H5ClFN3
SMILES
CC1=NC(=C(C(=N1)Cl)F)N
InChI
InChI=1S/C5H5ClFN3/c1-2-9-4(6)3(7)5(8)10-2/h1H3,(H2,8,9,10)
InChIKey
RDJZOWUMMHRHDK-UHFFFAOYSA-N
Compound name
6-chloro-5-fluoro-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

161.01561 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.02289 127.1
[M+Na]+ 184.00483 139.0
[M-H]- 160.00833 127.1
[M+NH4]+ 179.04943 146.3
[M+K]+ 199.97877 135.0
[M+H-H2O]+ 144.01287 120.4
[M+HCOO]- 206.01381 145.0
[M+CH3COO]- 220.02946 178.7
[M+Na-2H]- 181.99028 133.5
[M]+ 161.01506 126.7
[M]- 161.01616 126.7
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