CID 9838045

5-iodoindolin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

258.9494 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95668 131.9
[M+Na]+ 281.93862 134.5
[M-H]- 257.94212 127.2
[M+NH4]+ 276.98322 149.2
[M+K]+ 297.91256 137.0
[M+H-H2O]+ 241.94666 123.0
[M+HCOO]- 303.94760 148.6
[M+CH3COO]- 317.96325 181.3
[M+Na-2H]- 279.92407 126.5
[M]+ 258.94885 127.5
[M]- 258.94995 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

literature stripe

Patent stripe

patents stripe