CID 57837403

6-tert-butyl-2-chloroquinoline

Structural Information

Molecular Formula
C13H14ClN
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2)Cl
InChI
InChI=1S/C13H14ClN/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(14)15-11/h4-8H,1-3H3
InChIKey
UIFPDRONYYVOCN-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

219.08148 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08876 148.0
[M+Na]+ 242.07070 164.4
[M+NH4]+ 237.11530 158.3
[M+K]+ 258.04464 155.7
[M-H]- 218.07420 151.3
[M+Na-2H]- 240.05615 156.5
[M]+ 219.08093 152.0
[M]- 219.08203 152.0
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