CID 84655758

5-chloro-3-fluoro-2-methoxyphenol

Structural Information

Molecular Formula
C7H6ClFO2
SMILES
COC1=C(C=C(C=C1F)Cl)O
InChI
InChI=1S/C7H6ClFO2/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,10H,1H3
InChIKey
KNRKEXSHFVXOMD-UHFFFAOYSA-N
Compound name
5-chloro-3-fluoro-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.00403 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01131 127.5
[M+Na]+ 198.99325 138.9
[M-H]- 174.99675 129.5
[M+NH4]+ 194.03785 148.7
[M+K]+ 214.96719 135.3
[M+H-H2O]+ 159.00129 123.0
[M+HCOO]- 221.00223 146.1
[M+CH3COO]- 235.01788 176.7
[M+Na-2H]- 196.97870 133.4
[M]+ 176.00348 129.7
[M]- 176.00458 129.7
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

No patent data available for this compound.