CID 137943642

2287286-28-4

Structural Information

Molecular Formula
C7H11IO2
SMILES
C1COC2C1OC(C2)CI
InChI
InChI=1S/C7H11IO2/c8-4-5-3-7-6(10-5)1-2-9-7/h5-7H,1-4H2
InChIKey
GUSWVJWNSZFLOJ-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.98038 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98766 136.4
[M+Na]+ 276.96960 136.7
[M-H]- 252.97310 134.6
[M+NH4]+ 272.01420 154.5
[M+K]+ 292.94354 143.4
[M+H-H2O]+ 236.97764 129.2
[M+HCOO]- 298.97858 152.0
[M+CH3COO]- 312.99423 181.4
[M+Na-2H]- 274.95505 129.8
[M]+ 253.97983 133.5
[M]- 253.98093 133.5
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

No patent data available for this compound.