CID 11978697

2,3,5-tribromo-6-(3,5-dibromo-2-methoxyphenoxy)phenol

Structural Information

Molecular Formula
C13H7Br5O3
SMILES
COC1=C(C=C(C=C1Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)O
InChI
InChI=1S/C13H7Br5O3/c1-20-12-7(16)2-5(14)3-9(12)21-13-8(17)4-6(15)10(18)11(13)19/h2-4,19H,1H3
InChIKey
FNTANFZTPSDZRK-UHFFFAOYSA-N
Compound name
2,3,5-tribromo-6-(3,5-dibromo-2-methoxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

605.6312 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.63848 170.9
[M+Na]+ 628.62042 177.4
[M-H]- 604.62392 174.6
[M+NH4]+ 623.66502 177.3
[M+K]+ 644.59436 166.7
[M+H-H2O]+ 588.62846 187.8
[M+HCOO]- 650.62940 173.9
[M+CH3COO]- 664.64505 248.1
[M+Na-2H]- 626.60587 170.1
[M]+ 605.63065 201.7
[M]- 605.63175 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe