CID 6477070

Nsc632831

Structural Information

Molecular Formula
C20H16Br2O
SMILES
C1C/C(=C\C2=CC=C(C=C2)Br)/C(=O)/C(=C\C3=CC=C(C=C3)Br)/C1
InChI
InChI=1S/C20H16Br2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12-,17-13+
InChIKey
HXRSOYCNABLYMF-RFTYBOQRSA-N
Compound name
(2E,6Z)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.9568 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.96408 177.2
[M+Na]+ 452.94602 185.4
[M-H]- 428.94952 187.7
[M+NH4]+ 447.99062 191.8
[M+K]+ 468.91996 168.9
[M+H-H2O]+ 412.95406 184.4
[M+HCOO]- 474.95500 190.2
[M+CH3COO]- 488.97065 188.5
[M+Na-2H]- 450.93147 179.5
[M]+ 429.95625 207.3
[M]- 429.95735 207.3
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.