CID 10882130

Phenol, 2,4-bis(1,1-dimethylethyl)-6-iodo-

Structural Information

Molecular Formula
C14H21IO
SMILES
CC(C)(C)C1=CC(=C(C(=C1)I)O)C(C)(C)C
InChI
InChI=1S/C14H21IO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3
InChIKey
XAKFDUNVLYZUFO-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

332.06372 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07100 164.1
[M+Na]+ 355.05294 165.3
[M-H]- 331.05644 160.1
[M+NH4]+ 350.09754 178.0
[M+K]+ 371.02688 168.5
[M+H-H2O]+ 315.06098 156.0
[M+HCOO]- 377.06192 177.3
[M+CH3COO]- 391.07757 199.6
[M+Na-2H]- 353.03839 156.0
[M]+ 332.06317 162.8
[M]- 332.06427 162.8
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