CID 131540231

2-amino-6-chloropyrimidine-4-carbonitrile

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=C(N=C(N=C1Cl)N)C#N
InChI
InChI=1S/C5H3ClN4/c6-4-1-3(2-7)9-5(8)10-4/h1H,(H2,8,9,10)
InChIKey
IQZBDTXIXMTLJS-UHFFFAOYSA-N
Compound name
2-amino-6-chloropyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.00462 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01190 127.3
[M+Na]+ 176.99384 139.1
[M-H]- 152.99734 127.5
[M+NH4]+ 172.03844 144.1
[M+K]+ 192.96778 135.6
[M+H-H2O]+ 137.00188 114.3
[M+HCOO]- 199.00282 142.7
[M+CH3COO]- 213.01847 188.9
[M+Na-2H]- 174.97929 134.3
[M]+ 154.00407 122.1
[M]- 154.00517 122.1
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

No patent data available for this compound.