CID 366686

Nsc635403

Structural Information

Molecular Formula
C16H11BrN2O5
SMILES
C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)Br
InChI
InChI=1S/C16H11BrN2O5/c17-10-3-1-9(2-4-10)14(20)8-16(22)12-7-11(19(23)24)5-6-13(12)18-15(16)21/h1-7,22H,8H2,(H,18,21)
InChIKey
HOZIDHOMYAEFBN-UHFFFAOYSA-N
Compound name
3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-nitro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.