CID 146109771

2-chloro-4-ethynyl-6-methylpyrimidine

Structural Information

Molecular Formula
C7H5ClN2
SMILES
CC1=CC(=NC(=N1)Cl)C#C
InChI
InChI=1S/C7H5ClN2/c1-3-6-4-5(2)9-7(8)10-6/h1,4H,2H3
InChIKey
RHFKWGDBLPCSIM-UHFFFAOYSA-N
Compound name
2-chloro-4-ethynyl-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.01413 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 126.3
[M+Na]+ 175.00335 141.2
[M+NH4]+ 170.04795 131.7
[M+K]+ 190.97729 131.2
[M-H]- 151.00685 120.1
[M+Na-2H]- 172.98880 131.4
[M]+ 152.01358 126.2
[M]- 152.01468 126.2
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

No patent data available for this compound.