CID 214815

((2,3,6-trichlorobenzyl)oxy)-2-propanol

Structural Information

Molecular Formula
C10H11Cl3O2
SMILES
CCC(O)OCC1=C(C=CC(=C1Cl)Cl)Cl
InChI
InChI=1S/C10H11Cl3O2/c1-2-9(14)15-5-6-7(11)3-4-8(12)10(6)13/h3-4,9,14H,2,5H2,1H3
InChIKey
ZRRCPKLWTBJUHI-UHFFFAOYSA-N
Compound name
1-[(2,3,6-trichlorophenyl)methoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

267.98245 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98973 149.7
[M+Na]+ 290.97167 159.7
[M-H]- 266.97517 150.8
[M+NH4]+ 286.01627 167.5
[M+K]+ 306.94561 153.9
[M+H-H2O]+ 250.97971 147.2
[M+HCOO]- 312.98065 157.0
[M+CH3COO]- 326.99630 193.9
[M+Na-2H]- 288.95712 151.6
[M]+ 267.98190 154.6
[M]- 267.98300 154.6
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