CID 363840

2,7-dibromo-9h-xanthen-9-one

Structural Information

Molecular Formula
C13H6Br2O2
SMILES
C1=CC2=C(C=C1Br)C(=O)C3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C13H6Br2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H
InChIKey
AOOPYZBRENDMPN-UHFFFAOYSA-N
Compound name
2,7-dibromoxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

351.87344 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.88072 150.4
[M+Na]+ 374.86266 163.5
[M-H]- 350.86616 159.8
[M+NH4]+ 369.90726 168.8
[M+K]+ 390.83660 149.9
[M+H-H2O]+ 334.87070 158.7
[M+HCOO]- 396.87164 166.3
[M+CH3COO]- 410.88729 165.3
[M+Na-2H]- 372.84811 160.6
[M]+ 351.87289 187.7
[M]- 351.87399 187.7
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