CID 155821283

2-chloro-4-ethynyl-5-methylpyrimidine

Structural Information

Molecular Formula
C7H5ClN2
SMILES
CC1=CN=C(N=C1C#C)Cl
InChI
InChI=1S/C7H5ClN2/c1-3-6-5(2)4-9-7(8)10-6/h1,4H,2H3
InChIKey
ZGKIDKHAEFDNOV-UHFFFAOYSA-N
Compound name
2-chloro-4-ethynyl-5-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 124.3
[M+Na]+ 175.00335 137.0
[M-H]- 151.00685 123.9
[M+NH4]+ 170.04795 141.7
[M+K]+ 190.97729 132.3
[M+H-H2O]+ 135.01139 112.1
[M+HCOO]- 197.01233 136.8
[M+CH3COO]- 211.02798 184.0
[M+Na-2H]- 172.98880 130.8
[M]+ 152.01358 120.5
[M]- 152.01468 120.5
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.