CID 36864

4-tert-butyl-2,6-dichlorophenol

Structural Information

Molecular Formula
C10H12Cl2O
SMILES
CC(C)(C)C1=CC(=C(C(=C1)Cl)O)Cl
InChI
InChI=1S/C10H12Cl2O/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3
InChIKey
RETRALMQVUXTPQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

218.02652 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03380 142.5
[M+Na]+ 241.01574 153.5
[M-H]- 217.01924 145.2
[M+NH4]+ 236.06034 162.8
[M+K]+ 256.98968 148.1
[M+H-H2O]+ 201.02378 139.9
[M+HCOO]- 263.02472 154.3
[M+CH3COO]- 277.04037 185.5
[M+Na-2H]- 239.00119 147.2
[M]+ 218.02597 145.9
[M]- 218.02707 145.9
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