CID 101844078

5-tert-butyl-2,4-diiodophenol

Structural Information

Molecular Formula
C10H12I2O
SMILES
CC(C)(C)C1=CC(=C(C=C1I)I)O
InChI
InChI=1S/C10H12I2O/c1-10(2,3)6-4-9(13)8(12)5-7(6)11/h4-5,13H,1-3H3
InChIKey
SVUMGUYTRBJEOM-UHFFFAOYSA-N
Compound name
5-tert-butyl-2,4-diiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.89777 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.90505 154.6
[M+Na]+ 424.88699 148.9
[M-H]- 400.89049 145.8
[M+NH4]+ 419.93159 163.6
[M+K]+ 440.86093 158.3
[M+H-H2O]+ 384.89503 143.9
[M+HCOO]- 446.89597 164.2
[M+CH3COO]- 460.91162 205.2
[M+Na-2H]- 422.87244 141.5
[M]+ 401.89722 150.3
[M]- 401.89832 150.3
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.