CID 3084547

1-pentanone, 2,3,4,5-tetrabromo-1,5-diphenyl-

Structural Information

Molecular Formula
C17H14Br4O
SMILES
C1=CC=C(C=C1)C(C(C(C(C(=O)C2=CC=CC=C2)Br)Br)Br)Br
InChI
InChI=1S/C17H14Br4O/c18-13(11-7-3-1-4-8-11)14(19)15(20)16(21)17(22)12-9-5-2-6-10-12/h1-10,13-16H
InChIKey
QADMPPHLZUFHDS-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrabromo-1,5-diphenylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

549.77783 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.78511 177.8
[M+Na]+ 572.76705 181.3
[M-H]- 548.77055 182.1
[M+NH4]+ 567.81165 185.9
[M+K]+ 588.74099 169.0
[M+H-H2O]+ 532.77509 195.6
[M+HCOO]- 594.77603 181.2
[M+CH3COO]- 608.79168 242.6
[M+Na-2H]- 570.75250 176.8
[M]+ 549.77728 215.2
[M]- 549.77838 215.2
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