CID 370203

Nsc642947

Structural Information

Molecular Formula
C17H10Br2ClNO
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C3C=C(C=CC3=N2)Cl)C(Br)Br
InChI
InChI=1S/C17H10Br2ClNO/c18-17(19)13-9-11-8-12(20)6-7-14(11)21-15(13)16(22)10-4-2-1-3-5-10/h1-9,17H
InChIKey
LBZVXXFIWDUKTA-UHFFFAOYSA-N
Compound name
[6-chloro-3-(dibromomethyl)quinolin-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.88177 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.88905 170.9
[M+Na]+ 459.87099 181.7
[M-H]- 435.87449 179.4
[M+NH4]+ 454.91559 185.9
[M+K]+ 475.84493 165.2
[M+H-H2O]+ 419.87903 178.7
[M+HCOO]- 481.87997 180.3
[M+CH3COO]- 495.89562 183.0
[M+Na-2H]- 457.85644 176.1
[M]+ 436.88122 206.5
[M]- 436.88232 206.5
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.