CID 17039797

948291-25-6

Structural Information

Molecular Formula
C10H6BrCl2N
SMILES
C1=CC(=CC2=NC(=C(C=C21)CCl)Cl)Br
InChI
InChI=1S/C10H6BrCl2N/c11-8-2-1-6-3-7(5-12)10(13)14-9(6)4-8/h1-4H,5H2
InChIKey
DAUUESKNGFEHEH-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-3-(chloromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.90607 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91335 146.6
[M+Na]+ 311.89529 162.1
[M-H]- 287.89879 152.2
[M+NH4]+ 306.93989 167.7
[M+K]+ 327.86923 147.7
[M+H-H2O]+ 271.90333 147.9
[M+HCOO]- 333.90427 157.7
[M+CH3COO]- 347.91992 161.7
[M+Na-2H]- 309.88074 155.3
[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

No patent data available for this compound.