CID 87785353

2-(2-chloropyrimidin-4-yl)acetonitrile

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=CN=C(N=C1CC#N)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-9-4-2-5(10-6)1-3-8/h2,4H,1H2
InChIKey
FQTPHWMDDNQNGQ-UHFFFAOYSA-N
Compound name
2-(2-chloropyrimidin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.00937 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 128.1
[M+Na]+ 175.99859 142.1
[M+NH4]+ 171.04319 133.4
[M+K]+ 191.97253 132.2
[M-H]- 152.00209 122.4
[M+Na-2H]- 173.98404 133.7
[M]+ 153.00882 127.9
[M]- 153.00992 127.9
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