CID 3018051

2-chloro-3-isopropyl-6-methylphenol

Structural Information

Molecular Formula
C10H13ClO
SMILES
CC1=C(C(=C(C=C1)C(C)C)Cl)O
InChI
InChI=1S/C10H13ClO/c1-6(2)8-5-4-7(3)10(12)9(8)11/h4-6,12H,1-3H3
InChIKey
COJGWGSVTCWAGQ-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-3-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.06549 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 136.0
[M+Na]+ 207.05471 145.9
[M-H]- 183.05821 139.0
[M+NH4]+ 202.09931 157.0
[M+K]+ 223.02865 142.0
[M+H-H2O]+ 167.06275 132.3
[M+HCOO]- 229.06369 153.5
[M+CH3COO]- 243.07934 181.9
[M+Na-2H]- 205.04016 139.6
[M]+ 184.06494 138.4
[M]- 184.06604 138.4
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

No patent data available for this compound.