CID 84649004

4-(difluoromethyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C5H5F2N3
SMILES
C1=CN=C(N=C1C(F)F)N
InChI
InChI=1S/C5H5F2N3/c6-4(7)3-1-2-9-5(8)10-3/h1-2,4H,(H2,8,9,10)
InChIKey
SUVMSNKJNMLRRL-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

145.04515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.052426 124.2
[M+Na]+ 168.034368 133.4
[M-H]- 144.037874 122.5
[M+NH4]+ 163.078973 142.5
[M+K]+ 184.008308 131.3
[M+H-H2O]+ 128.042410 115.5
[M+HCOO]- 190.043351 144.8
[M+CH3COO]- 204.059001 176.2
[M+Na-2H]- 166.019816 130.9
[M]+ 145.04460142 119.4
[M]- 145.04569858 119.4
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