CID 9882905

2,6-bis(isopropyl)-4-iodophenol

Structural Information

Molecular Formula
C12H17IO
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)I
InChI
InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKey
JMJHJCFWTNRPEI-UHFFFAOYSA-N
Compound name
4-iodo-2,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

98
Patents

304.0324 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03968 153.8
[M+Na]+ 327.02162 154.4
[M-H]- 303.02512 149.6
[M+NH4]+ 322.06622 168.3
[M+K]+ 342.99556 158.1
[M+H-H2O]+ 287.02966 145.0
[M+HCOO]- 349.03060 168.8
[M+CH3COO]- 363.04625 196.0
[M+Na-2H]- 325.00707 143.0
[M]+ 304.03185 151.7
[M]- 304.03295 151.7
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