CID 45036993

4,6-dichloro-2-methylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
CC1=NC(=C(C(=N1)Cl)C#N)Cl
InChI
InChI=1S/C6H3Cl2N3/c1-3-10-5(7)4(2-9)6(8)11-3/h1H3
InChIKey
WTCXSVBJUSNPOI-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.9704 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.977676 130.3
[M+Na]+ 209.959618 143.8
[M-H]- 185.963124 130.6
[M+NH4]+ 205.004223 147.1
[M+K]+ 225.933558 138.9
[M+H-H2O]+ 169.967660 118.3
[M+HCOO]- 231.968601 140.5
[M+CH3COO]- 245.984251 193.1
[M+Na-2H]- 207.945066 136.3
[M]+ 186.96985142 128.2
[M]- 186.97094858 128.2
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