CID 2773713

3-chloro-5-fluorophenol

Structural Information

Molecular Formula
C6H4ClFO
SMILES
C1=C(C=C(C=C1F)Cl)O
InChI
InChI=1S/C6H4ClFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
ZMFBYTAAMHWQHD-UHFFFAOYSA-N
Compound name
3-chloro-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

145.99347 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe