CID 23131481

4-tert-butyl-2,6-dichloropyridine

Structural Information

Molecular Formula
C9H11Cl2N
SMILES
CC(C)(C)C1=CC(=NC(=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2N/c1-9(2,3)6-4-7(10)12-8(11)5-6/h4-5H,1-3H3
InChIKey
NZBWJWSQADQOKF-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-dichloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

203.02686 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03414 139.7
[M+Na]+ 226.01608 150.6
[M-H]- 202.01958 141.8
[M+NH4]+ 221.06068 159.5
[M+K]+ 241.99002 145.6
[M+H-H2O]+ 186.02412 135.4
[M+HCOO]- 248.02506 151.6
[M+CH3COO]- 262.04071 184.6
[M+Na-2H]- 224.00153 145.9
[M]+ 203.02631 143.0
[M]- 203.02741 143.0
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