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]+ 185.072766 136.0
[M+Na]+ 207.054708 145.9
[M-H]- 183.058214 139.0
[M+NH4]+ 202.099313 157.0
[M+K]+ 223.028648 142.0
[M+H-H2O]+ 167.062750 132.3
[M+HCOO]- 229.063691 153.5
[M+CH3COO]- 243.079341 181.9
[M+Na-2H]- 205.040156 139.6
[M]+ 184.06494142 138.4
[M]- 184.06603858 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

literature stripe

Patent stripe

patents stripe