CID 70854587

4-chloro-3-iodo-2-methylquinoline

Structural Information

Molecular Formula
C10H7ClIN
SMILES
CC1=NC2=CC=CC=C2C(=C1I)Cl
InChI
InChI=1S/C10H7ClIN/c1-6-10(12)9(11)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChIKey
RAXQMBUWHAGUBH-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

302.93118 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.93846 137.7
[M+Na]+ 325.92040 142.3
[M-H]- 301.92390 134.3
[M+NH4]+ 320.96500 153.5
[M+K]+ 341.89434 143.2
[M+H-H2O]+ 285.92844 128.6
[M+HCOO]- 347.92938 151.0
[M+CH3COO]- 361.94503 147.8
[M+Na-2H]- 323.90585 134.4
[M]+ 302.93063 137.9
[M]- 302.93173 137.9
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