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

90
Patents

145.04515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.05243 124.2
[M+Na]+ 168.03437 133.4
[M-H]- 144.03787 122.5
[M+NH4]+ 163.07897 142.5
[M+K]+ 184.00831 131.3
[M+H-H2O]+ 128.04241 115.5
[M+HCOO]- 190.04335 144.8
[M+CH3COO]- 204.05900 176.2
[M+Na-2H]- 166.01982 130.9
[M]+ 145.04460 119.4
[M]- 145.04570 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