CID 132353717

7-iodo-octahydro-1-benzofuran

Structural Information

Molecular Formula
C8H13IO
SMILES
C1CC2CCOC2C(C1)I
InChI
InChI=1S/C8H13IO/c9-7-3-1-2-6-4-5-10-8(6)7/h6-8H,1-5H2
InChIKey
LROJVYJZYPMOKA-UHFFFAOYSA-N
Compound name
7-iodo-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00839 134.4
[M+Na]+ 274.99033 133.3
[M-H]- 250.99383 131.5
[M+NH4]+ 270.03493 152.1
[M+K]+ 290.96427 138.6
[M+H-H2O]+ 234.99837 126.1
[M+HCOO]- 296.99931 148.4
[M+CH3COO]- 311.01496 182.1
[M+Na-2H]- 272.97578 127.9
[M]+ 252.00056 127.8
[M]- 252.00166 127.8
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.