CID 16205934

2,2,2-trichloro-1,1-dimethylethyl salicylate

Structural Information

Molecular Formula
C11H11Cl3O3
SMILES
CC(C)(C(Cl)(Cl)Cl)OC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C11H11Cl3O3/c1-10(2,11(12,13)14)17-9(16)7-5-3-4-6-8(7)15/h3-6,15H,1-2H3
InChIKey
JMBYJYPJYHTGKC-UHFFFAOYSA-N
Compound name
(1,1,1-trichloro-2-methylpropan-2-yl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9774 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.984676 157.1
[M+Na]+ 318.966618 166.2
[M-H]- 294.970124 158.6
[M+NH4]+ 314.011223 173.6
[M+K]+ 334.940558 160.9
[M+H-H2O]+ 278.974660 154.7
[M+HCOO]- 340.975601 161.6
[M+CH3COO]- 354.991251 195.1
[M+Na-2H]- 316.952066 161.6
[M]+ 295.97685142 161.4
[M]- 295.97794858 161.4
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.