CID 123949749

2,4-dichloro-5-propan-2-ylpyridine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CC(C)C1=CN=C(C=C1Cl)Cl
InChI
InChI=1S/C8H9Cl2N/c1-5(2)6-4-11-8(10)3-7(6)9/h3-5H,1-2H3
InChIKey
IHTRMUMBLQKTGV-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

189.0112 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.3
[M+Na]+ 212.00042 150.9
[M+NH4]+ 207.04502 145.0
[M+K]+ 227.97436 143.0
[M-H]- 188.00392 137.6
[M+Na-2H]- 209.98587 143.2
[M]+ 189.01065 138.9
[M]- 189.01175 138.9
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