CID 75790

3-chloro-4-fluorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1367
Patents

145.99347 Da
Monoisotopic Mass

2.4
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

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