CID 370204

Nsc642948

Structural Information

Molecular Formula
C17H9Br2Cl2NO
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC(=C3C=C2C(Br)Br)Cl)Cl
InChI
InChI=1S/C17H9Br2Cl2NO/c18-17(19)11-8-10-12(20)6-7-13(21)14(10)22-15(11)16(23)9-4-2-1-3-5-9/h1-8,17H
InChIKey
ORUKEOXCVZHQFF-UHFFFAOYSA-N
Compound name
[5,8-dichloro-3-(dibromomethyl)quinolin-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.8428 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.85008 173.4
[M+Na]+ 493.83202 185.6
[M-H]- 469.83552 181.6
[M+NH4]+ 488.87662 188.0
[M+K]+ 509.80596 168.2
[M+H-H2O]+ 453.84006 181.6
[M+HCOO]- 515.84100 178.9
[M+CH3COO]- 529.85665 185.4
[M+Na-2H]- 491.81747 177.8
[M]+ 470.84225 209.9
[M]- 470.84335 209.9
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.