CID 68295

1,3-diiodopropan-2-ol

Structural Information

Molecular Formula
C3H6I2O
SMILES
C(C(CI)O)I
InChI
InChI=1S/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
DNKPFCQEGBJJTE-UHFFFAOYSA-N
Compound name
1,3-diiodopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

367
Patents

311.8508 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.85808 132.6
[M+Na]+ 334.84002 125.5
[M-H]- 310.84352 121.1
[M+NH4]+ 329.88462 143.8
[M+K]+ 350.81396 136.8
[M+H-H2O]+ 294.84806 122.7
[M+HCOO]- 356.84900 143.4
[M+CH3COO]- 370.86465 190.6
[M+Na-2H]- 332.82547 120.4
[M]+ 311.85025 127.5
[M]- 311.85135 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe