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

20
Patents

189.0112 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.018476 133.6
[M+Na]+ 212.000418 144.1
[M-H]- 188.003924 135.6
[M+NH4]+ 207.045023 153.7
[M+K]+ 227.974358 139.5
[M+H-H2O]+ 172.008460 129.2
[M+HCOO]- 234.009401 146.5
[M+CH3COO]- 248.025051 182.8
[M+Na-2H]- 209.985866 138.7
[M]+ 189.01065142 136.6
[M]- 189.01174858 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