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
2
Annotation Hits

0
References

483
Patents

145.99347 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe