CID 19773140

Tert-butyl 2-hydroxy-5-iodobenzoate

Structural Information

Molecular Formula
C11H13IO3
SMILES
CC(C)(C)OC(=O)C1=C(C=CC(=C1)I)O
InChI
InChI=1S/C11H13IO3/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6,13H,1-3H3
InChIKey
LOSNREINCMRCOA-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxy-5-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

319.99094 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99822 158.4
[M+Na]+ 342.98016 159.4
[M-H]- 318.98366 154.2
[M+NH4]+ 338.02476 172.0
[M+K]+ 358.95410 163.6
[M+H-H2O]+ 302.98820 149.5
[M+HCOO]- 364.98914 173.7
[M+CH3COO]- 379.00479 193.3
[M+Na-2H]- 340.96561 150.3
[M]+ 319.99039 157.6
[M]- 319.99149 157.6
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