CID 15221577

4,6-dichloro-5-fluoropyrimidin-2-amine

Structural Information

Molecular Formula

C₄H₂Cl₂FN₃

SMILES

C1(=C(N=C(N=C1Cl)N)Cl)F

InChI

InChI=1S/C4H2Cl2FN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)

InChIKey

PSEWFMLZDMIBMC-UHFFFAOYSA-N

Compound name

4,6-dichloro-5-fluoropyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 180.96098 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.96826	127.6
[M+Na]+	203.95020	140.0
[M-H]-	179.95370	126.9
[M+NH4]+	198.99480	146.2
[M+K]+	219.92414	135.0
[M+H-H2O]+	163.95824	121.6
[M+HCOO]-	225.95918	140.6
[M+CH3COO]-	239.97483	180.5
[M+Na-2H]-	201.93565	133.8
[M]+	180.96043	127.7
[M]-	180.96153	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe