CID 35634

6-tert-butyl-4-chloro-m-cresol

Structural Information

Molecular Formula
C11H15ClO
SMILES
CC1=CC(=C(C=C1Cl)C(C)(C)C)O
InChI
InChI=1S/C11H15ClO/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6,13H,1-4H3
InChIKey
PDCFFHOQPXOVDC-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-chloro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
Patents

198.08115 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 141.0
[M+Na]+ 221.07037 151.3
[M-H]- 197.07387 144.2
[M+NH4]+ 216.11497 161.8
[M+K]+ 237.04431 147.1
[M+H-H2O]+ 181.07841 137.6
[M+HCOO]- 243.07935 157.6
[M+CH3COO]- 257.09500 183.8
[M+Na-2H]- 219.05582 146.0
[M]+ 198.08060 143.8
[M]- 198.08170 143.8
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