CID 15092

(3-amino-2,4,6-triiodophenyl)methanol

Structural Information

Molecular Formula
C7H6I3NO
SMILES
C1=C(C(=C(C(=C1I)N)I)CO)I
InChI
InChI=1S/C7H6I3NO/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1,12H,2,11H2
InChIKey
VZQXILUNJAYEEK-UHFFFAOYSA-N
Compound name
(3-amino-2,4,6-triiodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

500.7584 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.76568 157.9
[M+Na]+ 523.74762 146.6
[M-H]- 499.75112 147.8
[M+NH4]+ 518.79222 161.2
[M+K]+ 539.72156 159.8
[M+H-H2O]+ 483.75566 146.2
[M+HCOO]- 545.75660 163.3
[M+CH3COO]- 559.77225 220.5
[M+Na-2H]- 521.73307 142.4
[M]+ 500.75785 151.1
[M]- 500.75895 151.1
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