CID 62072382

1-[5-chloro-2-(difluoromethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H9ClF2O2
SMILES
CC(C1=C(C=CC(=C1)Cl)OC(F)F)O
InChI
InChI=1S/C9H9ClF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-5,9,13H,1H3
InChIKey
COYIWNMSVIWRGS-UHFFFAOYSA-N
Compound name
1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.02591 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03319 139.5
[M+Na]+ 245.01513 148.7
[M-H]- 221.01863 139.6
[M+NH4]+ 240.05973 158.3
[M+K]+ 260.98907 145.0
[M+H-H2O]+ 205.02317 133.5
[M+HCOO]- 267.02411 154.5
[M+CH3COO]- 281.03976 186.0
[M+Na-2H]- 243.00058 142.0
[M]+ 222.02536 139.8
[M]- 222.02646 139.8
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