CID 22220918

675109-30-5

Structural Information

Molecular Formula
C8H6INO
SMILES
C1C2=C(C=C(C=C2)I)C(=O)N1
InChI
InChI=1S/C8H6INO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKey
HWGBKJIBYIUGNE-UHFFFAOYSA-N
Compound name
6-iodo-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

258.9494 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe