CID 17039821

75896-70-7

Structural Information

Molecular Formula
C10H6Cl3N
SMILES
CC1=CC(=C2C=C(C(=CC2=N1)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl3N/c1-5-2-7(11)6-3-8(12)9(13)4-10(6)14-5/h2-4H,1H3
InChIKey
GIUJOEVTMZWXCU-UHFFFAOYSA-N
Compound name
4,6,7-trichloro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.95659 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.963866 144.5
[M+Na]+ 267.945808 157.5
[M-H]- 243.949314 146.4
[M+NH4]+ 262.990413 163.7
[M+K]+ 283.919748 150.8
[M+H-H2O]+ 227.953850 140.2
[M+HCOO]- 289.954791 151.9
[M+CH3COO]- 303.970441 157.3
[M+Na-2H]- 265.931256 150.1
[M]+ 244.95604142 148.6
[M]- 244.95713858 148.6
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

No patent data available for this compound.