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
2
Annotation Hits

0
References

1480
Patents

145.99347 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.000746 120.3
[M+Na]+ 168.982688 131.3
[M-H]- 144.986194 122.2
[M+NH4]+ 164.027293 142.5
[M+K]+ 184.956628 127.4
[M+H-H2O]+ 128.990730 116.0
[M+HCOO]- 190.991671 139.1
[M+CH3COO]- 205.007321 170.5
[M+Na-2H]- 166.968136 127.5
[M]+ 145.99292142 120.3
[M]- 145.99401858 120.3
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