CID 2302732

70156-79-5

Structural Information

Molecular Formula
C14H10Br4O4S
SMILES
COC1=C(C=C(C=C1Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OC)Br)Br
InChI
InChI=1S/C14H10Br4O4S/c1-21-13-9(15)3-7(4-10(13)16)23(19,20)8-5-11(17)14(22-2)12(18)6-8/h3-6H,1-2H3
InChIKey
MVCCPHIOCLZPGZ-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(3,5-dibromo-4-methoxyphenyl)sulfonyl-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

589.7033 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.71058 155.7
[M+Na]+ 612.69252 162.2
[M-H]- 588.69602 161.1
[M+NH4]+ 607.73712 164.4
[M+K]+ 628.66646 149.6
[M+H-H2O]+ 572.70056 173.6
[M+HCOO]- 634.70150 159.6
[M+CH3COO]- 648.71715 243.7
[M+Na-2H]- 610.67797 157.7
[M]+ 589.70275 196.4
[M]- 589.70385 196.4
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