CID 2781550

2-chloro-6-methyl-3-phenylquinoline

Structural Information

Molecular Formula
C16H12ClN
SMILES
CC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H12ClN/c1-11-7-8-15-13(9-11)10-14(16(17)18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
KVZXVKOSIBJSNI-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-3-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

253.06583 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07311 155.1
[M+Na]+ 276.05505 166.0
[M-H]- 252.05855 161.5
[M+NH4]+ 271.09965 173.0
[M+K]+ 292.02899 159.0
[M+H-H2O]+ 236.06309 147.3
[M+HCOO]- 298.06403 172.6
[M+CH3COO]- 312.07968 168.1
[M+Na-2H]- 274.04050 162.6
[M]+ 253.06528 157.4
[M]- 253.06638 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.