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

83
Patents

163.98405 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99133 122.0
[M+Na]+ 186.97327 133.9
[M-H]- 162.97677 122.8
[M+NH4]+ 182.01787 143.6
[M+K]+ 202.94721 129.6
[M+H-H2O]+ 146.98131 116.9
[M+HCOO]- 208.98225 139.7
[M+CH3COO]- 222.99790 174.4
[M+Na-2H]- 184.95872 127.9
[M]+ 163.98350 121.2
[M]- 163.98460 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

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