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

1
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

patents stripe