CID 167725914

4-iodo-5-methoxy-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H11IO
SMILES
COC1=C(C2=C(CCC2)C=C1)I
InChI
InChI=1S/C10H11IO/c1-12-9-6-5-7-3-2-4-8(7)10(9)11/h5-6H,2-4H2,1H3
InChIKey
AYEPNUOQQAPAHV-UHFFFAOYSA-N
Compound name
4-iodo-5-methoxy-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98547 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99275 138.9
[M+Na]+ 296.97469 140.7
[M-H]- 272.97819 136.5
[M+NH4]+ 292.01929 157.5
[M+K]+ 312.94863 144.2
[M+H-H2O]+ 256.98273 130.3
[M+HCOO]- 318.98367 157.3
[M+CH3COO]- 332.99932 187.9
[M+Na-2H]- 294.96014 132.7
[M]+ 273.98492 136.9
[M]- 273.98602 136.9
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

No patent data available for this compound.