CID 17750691

4-chloro-2,6-difluorophenol

Structural Information

Molecular Formula
C6H3ClF2O
SMILES
C1=C(C=C(C(=C1F)O)F)Cl
InChI
InChI=1S/C6H3ClF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
BVXYFECYLILSJV-UHFFFAOYSA-N
Compound name
4-chloro-2,6-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

163.98405 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.991326 122.0
[M+Na]+ 186.973268 133.9
[M-H]- 162.976774 122.8
[M+NH4]+ 182.017873 143.6
[M+K]+ 202.947208 129.6
[M+H-H2O]+ 146.981310 116.9
[M+HCOO]- 208.982251 139.7
[M+CH3COO]- 222.997901 174.4
[M+Na-2H]- 184.958716 127.9
[M]+ 163.98350142 121.2
[M]- 163.98459858 121.2
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