CID 125062845

6-chloro-2-cyclopropylpyrimidine-4-carbonitrile

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1CC1C2=NC(=CC(=N2)Cl)C#N
InChI
InChI=1S/C8H6ClN3/c9-7-3-6(4-10)11-8(12-7)5-1-2-5/h3,5H,1-2H2
InChIKey
WHOQUWHDFDZRRP-UHFFFAOYSA-N
Compound name
6-chloro-2-cyclopropylpyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.0
[M+Na]+ 202.01424 150.3
[M-H]- 178.01774 138.4
[M+NH4]+ 197.05884 146.7
[M+K]+ 217.98818 142.2
[M+H-H2O]+ 162.02228 121.7
[M+HCOO]- 224.02322 149.8
[M+CH3COO]- 238.03887 146.3
[M+Na-2H]- 199.99969 141.1
[M]+ 179.02447 133.0
[M]- 179.02557 133.0
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.