CID 13863905

114144-16-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
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

No literature data available for this compound.

Patent stripe

patents stripe