CID 366626

258264-63-0

Structural Information

Molecular Formula
C16H11BrN2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O
InChI
InChI=1S/C16H11BrN2O5/c17-10-4-5-13-12(7-10)16(22,15(21)18-13)8-14(20)9-2-1-3-11(6-9)19(23)24/h1-7,22H,8H2,(H,18,21)
InChIKey
XWXHRRJHPBWPLP-UHFFFAOYSA-N
Compound name
5-bromo-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

389.98514 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.99242 179.7
[M+Na]+ 412.97436 189.3
[M-H]- 388.97786 186.4
[M+NH4]+ 408.01896 195.7
[M+K]+ 428.94830 173.3
[M+H-H2O]+ 372.98240 183.1
[M+HCOO]- 434.98334 196.6
[M+CH3COO]- 448.99899 203.2
[M+Na-2H]- 410.95981 185.5
[M]+ 389.98459 196.6
[M]- 389.98569 196.6
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