CID 11964073

[4-(hydroxymethyl)-2,5-diiodophenyl]methanol

Structural Information

Molecular Formula
C8H8I2O2
SMILES
C1=C(C(=CC(=C1I)CO)I)CO
InChI
InChI=1S/C8H8I2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2,11-12H,3-4H2
InChIKey
SLUXZDFEDICPMU-UHFFFAOYSA-N
Compound name
[4-(hydroxymethyl)-2,5-diiodophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.86136 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.86864 153.1
[M+Na]+ 412.85058 147.2
[M-H]- 388.85408 143.1
[M+NH4]+ 407.89518 161.5
[M+K]+ 428.82452 156.2
[M+H-H2O]+ 372.85862 142.0
[M+HCOO]- 434.85956 163.3
[M+CH3COO]- 448.87521 200.2
[M+Na-2H]- 410.83603 139.5
[M]+ 389.86081 148.2
[M]- 389.86191 148.2
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

No patent data available for this compound.