CID 2724523

4-chloro-3-fluorophenol

Structural Information

Molecular Formula
C6H4ClFO
SMILES
C1=CC(=C(C=C1O)F)Cl
InChI
InChI=1S/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
XLHYAEBESNFTCA-UHFFFAOYSA-N
Compound name
4-chloro-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1688
Patents

145.99347 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00075 121.3
[M+Na]+ 168.98269 135.4
[M+NH4]+ 164.02729 130.6
[M+K]+ 184.95663 128.6
[M-H]- 144.98619 122.4
[M+Na-2H]- 166.96814 128.9
[M]+ 145.99292 123.9
[M]- 145.99402 123.9
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