CID 220280

2-chloro-4-(2-methylbutan-2-yl)phenol

Structural Information

Molecular Formula
C11H15ClO
SMILES
CCC(C)(C)C1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C11H15ClO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4H2,1-3H3
InChIKey
UKTIQCCWPKUZKD-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

660
Patents

198.08115 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 141.7
[M+Na]+ 221.07037 151.0
[M-H]- 197.07387 144.5
[M+NH4]+ 216.11497 162.1
[M+K]+ 237.04431 146.7
[M+H-H2O]+ 181.07841 138.0
[M+HCOO]- 243.07935 158.3
[M+CH3COO]- 257.09500 183.2
[M+Na-2H]- 219.05582 147.3
[M]+ 198.08060 144.2
[M]- 198.08170 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe