CID 118021593

6-bromo-2,4-dichloro-3-methylquinoline

Structural Information

Molecular Formula
C10H6BrCl2N
SMILES
CC1=C(C2=C(C=CC(=C2)Br)N=C1Cl)Cl
InChI
InChI=1S/C10H6BrCl2N/c1-5-9(12)7-4-6(11)2-3-8(7)14-10(5)13/h2-4H,1H3
InChIKey
GDCMYYOPUXFEPC-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloro-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

288.90607 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91335 146.3
[M+Na]+ 311.89529 162.7
[M-H]- 287.89879 152.3
[M+NH4]+ 306.93989 167.7
[M+K]+ 327.86923 148.3
[M+H-H2O]+ 271.90333 147.8
[M+HCOO]- 333.90427 157.4
[M+CH3COO]- 347.91992 161.8
[M+Na-2H]- 309.88074 154.3
[M]+ 288.90552 168.5
[M]- 288.90662 168.5
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