CID 112692739

4-chloro-2,3-difluorophenol

Structural Information

Molecular Formula
C6H3ClF2O
SMILES
C1=CC(=C(C(=C1O)F)F)Cl
InChI
InChI=1S/C6H3ClF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
HVLUXBQZVNQLTE-UHFFFAOYSA-N
Compound name
4-chloro-2,3-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

No literature data available for this compound.

Patent stripe

patents stripe