CID 12374707

3-((5-bromo-2-furyl)methylene)-5-nitro-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C13H7BrN2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])/C(=C/C3=CC=C(O3)Br)/C(=O)N2
InChI
InChI=1S/C13H7BrN2O4/c14-12-4-2-8(20-12)6-10-9-5-7(16(18)19)1-3-11(9)15-13(10)17/h1-6H,(H,15,17)/b10-6-
InChIKey
PCDCHPFMFNSMBF-POHAHGRESA-N
Compound name
(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-nitro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.95892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.96620 171.5
[M+Na]+ 356.94814 182.9
[M-H]- 332.95164 180.6
[M+NH4]+ 351.99274 189.4
[M+K]+ 372.92208 167.9
[M+H-H2O]+ 316.95618 175.5
[M+HCOO]- 378.95712 191.5
[M+CH3COO]- 392.97277 194.6
[M+Na-2H]- 354.93359 176.7
[M]+ 333.95837 189.1
[M]- 333.95947 189.1
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.