CID 304906

258264-62-9

Structural Information

Molecular Formula
C17H12BrNO5
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)CC3(C4=C(C=CC(=C4)Br)NC3=O)O
InChI
InChI=1S/C17H12BrNO5/c18-10-2-3-12-11(6-10)17(22,16(21)19-12)7-13(20)9-1-4-14-15(5-9)24-8-23-14/h1-6,22H,7-8H2,(H,19,21)
InChIKey
WFYHAKOLBICHEZ-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-bromo-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

388.9899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99718 182.7
[M+Na]+ 411.97912 194.2
[M-H]- 387.98262 191.7
[M+NH4]+ 407.02372 200.0
[M+K]+ 427.95306 184.9
[M+H-H2O]+ 371.98716 183.9
[M+HCOO]- 433.98810 196.2
[M+CH3COO]- 448.00375 195.2
[M+Na-2H]- 409.96457 185.9
[M]+ 388.98935 202.9
[M]- 388.99045 202.9
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

No patent data available for this compound.