CID 27282

1,6-dideoxy-1,6-diiodohexitol

Structural Information

Molecular Formula
C6H12I2O4
SMILES
C(C(C(C(C(CI)O)O)O)O)I
InChI
InChI=1S/C6H12I2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2
InChIKey
VSJYBSKARROHOH-UHFFFAOYSA-N
Compound name
1,6-diiodohexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2247
Patents

401.8825 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.88978 164.1
[M+Na]+ 424.87172 154.2
[M-H]- 400.87522 149.1
[M+NH4]+ 419.91632 170.3
[M+K]+ 440.84566 165.0
[M+H-H2O]+ 384.87976 153.5
[M+HCOO]- 446.88070 168.4
[M+CH3COO]- 460.89635 198.6
[M+Na-2H]- 422.85717 145.3
[M]+ 401.88195 157.0
[M]- 401.88305 157.0
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