CID 198954

3565-32-0

Structural Information

Molecular Formula
C18H20Br2N2O3
SMILES
CCCCCCC1=CC(=C(C=C1O)O)N=NC2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C18H20Br2N2O3/c1-2-3-4-5-6-11-7-14(17(24)10-16(11)23)21-22-15-9-12(19)8-13(20)18(15)25/h7-10,23-25H,2-6H2,1H3
InChIKey
MKEYWYIQRWENNO-UHFFFAOYSA-N
Compound name
4-[(3,5-dibromo-2-hydroxyphenyl)diazenyl]-6-hexylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.98407 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.99135 181.4
[M+Na]+ 492.97329 189.5
[M-H]- 468.97679 188.7
[M+NH4]+ 488.01789 193.8
[M+K]+ 508.94723 172.4
[M+H-H2O]+ 452.98133 185.3
[M+HCOO]- 514.98227 196.5
[M+CH3COO]- 528.99792 231.7
[M+Na-2H]- 490.95874 183.6
[M]+ 469.98352 216.5
[M]- 469.98462 216.5
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