CID 53418819

6-iodo-2-oxindole

Structural Information

Molecular Formula
C8H6INO
SMILES
C1C2=C(C=C(C=C2)I)NC1=O
InChI
InChI=1S/C8H6INO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey
UGEPVMQRMXPCMD-UHFFFAOYSA-N
Compound name
6-iodo-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

258.9494 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.956676 131.9
[M+Na]+ 281.938618 134.5
[M-H]- 257.942124 127.2
[M+NH4]+ 276.983223 149.2
[M+K]+ 297.912558 137.0
[M+H-H2O]+ 241.946660 123.0
[M+HCOO]- 303.947601 148.6
[M+CH3COO]- 317.963251 181.3
[M+Na-2H]- 279.924066 126.5
[M]+ 258.94885142 127.5
[M]- 258.94994858 127.5
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

patents stripe