CID 85383

Benzenemethanol, 3-chloro-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C15H23ClO2
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)Cl)O)CO
InChI
InChI=1S/C15H23ClO2/c1-14(2,3)9-15(4,5)11-6-10(8-17)13(18)12(16)7-11/h6-7,17-18H,8-9H2,1-5H3
InChIKey
DZWNZYZSYZYMEO-UHFFFAOYSA-N
Compound name
2-chloro-6-(hydroxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

270.13867 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14595 162.8
[M+Na]+ 293.12789 171.3
[M-H]- 269.13139 164.3
[M+NH4]+ 288.17249 180.0
[M+K]+ 309.10183 166.3
[M+H-H2O]+ 253.13593 159.2
[M+HCOO]- 315.13687 175.2
[M+CH3COO]- 329.15252 195.8
[M+Na-2H]- 291.11334 166.1
[M]+ 270.13812 166.2
[M]- 270.13922 166.2
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