CID 2773564

3-chloro-2,6-difluorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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

No literature data available for this compound.

Patent stripe

patents stripe