CID 11615696

6-iodoindoline

Structural Information

Molecular Formula
C8H8IN
SMILES
C1CNC2=C1C=CC(=C2)I
InChI
InChI=1S/C8H8IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
InChIKey
KGCBZEKELZUOFI-UHFFFAOYSA-N
Compound name
6-iodo-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

244.97015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97743 129.8
[M+Na]+ 267.95937 131.3
[M-H]- 243.96287 124.7
[M+NH4]+ 263.00397 147.4
[M+K]+ 283.93331 133.8
[M+H-H2O]+ 227.96741 120.7
[M+HCOO]- 289.96835 146.1
[M+CH3COO]- 303.98400 139.3
[M+Na-2H]- 265.94482 125.0
[M]+ 244.96960 124.2
[M]- 244.97070 124.2
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