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 147.9
[M+Na]+ 242.07070 158.4
[M-H]- 218.07420 151.4
[M+NH4]+ 237.11530 167.7
[M+K]+ 258.04464 153.2
[M+H-H2O]+ 202.07874 142.2
[M+HCOO]- 264.07968 163.6
[M+CH3COO]- 278.09533 189.2
[M+Na-2H]- 240.05615 156.0
[M]+ 219.08093 150.8
[M]- 219.08203 150.8
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