CID 4251203

Cyclopentanone, 2,5-bis[(3-bromophenyl)methylene]-

Structural Information

Molecular Formula
C19H14Br2O
SMILES
C1CC(=CC2=CC(=CC=C2)Br)C(=O)C1=CC3=CC(=CC=C3)Br
InChI
InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2
InChIKey
MQKBSTJEWWWOFG-UHFFFAOYSA-N
Compound name
2,5-bis[(3-bromophenyl)methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.94113 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.94841 177.7
[M+Na]+ 438.93035 187.6
[M-H]- 414.93385 189.0
[M+NH4]+ 433.97495 194.5
[M+K]+ 454.90429 171.0
[M+H-H2O]+ 398.93839 185.5
[M+HCOO]- 460.93933 192.9
[M+CH3COO]- 474.95498 190.0
[M+Na-2H]- 436.91580 179.0
[M]+ 415.94058 209.3
[M]- 415.94168 209.3
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.