CID 23579868

329970-35-6

Structural Information

Molecular Formula
C32H32Br4O5
SMILES
CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br
InChI
InChI=1S/C32H32Br4O5/c1-2-3-4-5-6-7-8-9-10-13-16-40-32(39)20-15-12-11-14-19(20)25-21-17-23(33)28(37)26(35)30(21)41-31-22(25)18-24(34)29(38)27(31)36/h11-12,14-15,17-18,37H,2-10,13,16H2,1H3
InChIKey
OSRHGCXVHGLBRC-UHFFFAOYSA-N
Compound name
dodecyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

811.8983 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 812.90558 181.6
[M+Na]+ 834.88752 176.5
[M+NH4]+ 829.93212 182.0
[M+K]+ 850.86146 181.8
[M-H]- 810.89102 183.6
[M+Na-2H]- 832.87297 181.5
[M]+ 811.89775 181.9
[M]- 811.89885 181.9
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