CID 105438455

2-chloro-6-(difluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H4ClF2N3
SMILES
C1=C(N=C(N=C1N)Cl)C(F)F
InChI
InChI=1S/C5H4ClF2N3/c6-5-10-2(4(7)8)1-3(9)11-5/h1,4H,(H2,9,10,11)
InChIKey
DYSJZECPYKPOGG-UHFFFAOYSA-N
Compound name
2-chloro-6-(difluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.00618 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.01346 128.8
[M+Na]+ 201.99540 139.5
[M-H]- 177.99890 127.1
[M+NH4]+ 197.04000 146.8
[M+K]+ 217.96934 135.5
[M+H-H2O]+ 162.00344 120.9
[M+HCOO]- 224.00438 144.7
[M+CH3COO]- 238.02003 181.2
[M+Na-2H]- 199.98085 134.3
[M]+ 179.00563 126.3
[M]- 179.00673 126.3
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