CID 77728

2,6-di-tert-butyl-4-chlorophenol

Structural Information

Molecular Formula
C14H21ClO
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Cl
InChI
InChI=1S/C14H21ClO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey
WLQMYDWPKCQDPQ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1066
Patents

240.1281 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13538 154.2
[M+Na]+ 263.11732 163.8
[M-H]- 239.12082 157.4
[M+NH4]+ 258.16192 173.5
[M+K]+ 279.09126 159.3
[M+H-H2O]+ 223.12536 150.8
[M+HCOO]- 285.12630 168.2
[M+CH3COO]- 299.14195 192.7
[M+Na-2H]- 261.10277 158.5
[M]+ 240.12755 157.6
[M]- 240.12865 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

literature stripe

Patent stripe

patents stripe