CID 170989930

Bromoiesol a

Structural Information

Molecular Formula
C18H7Br7O3
SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2OC3=C(C=C(C=C3Br)Br)O)Br)Br)Br
InChI
InChI=1S/C18H7Br7O3/c19-7-1-2-13(9(21)3-7)27-18-14(6-10(22)15(24)16(18)25)28-17-11(23)4-8(20)5-12(17)26/h1-6,26H
InChIKey
OVHFRCMINFQZAQ-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-[3,4,5-tribromo-2-(2,4-dibromophenoxy)phenoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

823.4679 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.47518 185.5
[M+Na]+ 846.45712 195.8
[M-H]- 822.46062 189.4
[M+NH4]+ 841.50172 190.0
[M+K]+ 862.43106 186.5
[M+H-H2O]+ 806.46516 195.1
[M+HCOO]- 868.46610 187.7
[M+CH3COO]- 882.48175 253.8
[M+Na-2H]- 844.44257 182.7
[M]+ 823.46735 198.4
[M]- 823.46845 198.4
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

No patent data available for this compound.