CID 123949749

1622840-25-8

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 133.6
[M+Na]+ 212.00042 144.1
[M-H]- 188.00392 135.6
[M+NH4]+ 207.04502 153.7
[M+K]+ 227.97436 139.5
[M+H-H2O]+ 172.00846 129.2
[M+HCOO]- 234.00940 146.5
[M+CH3COO]- 248.02505 182.8
[M+Na-2H]- 209.98587 138.7
[M]+ 189.01065 136.6
[M]- 189.01175 136.6
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