CID 21473592

1753-50-0

Structural Information

Molecular Formula
C5H2ClN3
SMILES
C1=C(C=NC(=N1)Cl)C#N
InChI
InChI=1S/C5H2ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H
InChIKey
FXQSUQZXESNFNH-UHFFFAOYSA-N
Compound name
2-chloropyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

664
Patents

138.99373 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.00101 124.0
[M+Na]+ 161.98295 138.2
[M+NH4]+ 157.02755 129.4
[M+K]+ 177.95689 128.5
[M-H]- 137.98645 118.3
[M+Na-2H]- 159.96840 129.8
[M]+ 138.99318 123.9
[M]- 138.99428 123.9
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