CID 2724520

2-chloro-5-fluoroanisole

Structural Information

Molecular Formula
C7H6ClFO
SMILES
COC1=C(C=CC(=C1)F)Cl
InChI
InChI=1S/C7H6ClFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKey
ULVPJKKERHMKLS-UHFFFAOYSA-N
Compound name
1-chloro-4-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

160.00912 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 124.4
[M+Na]+ 182.99834 135.4
[M-H]- 159.00184 127.5
[M+NH4]+ 178.04294 146.8
[M+K]+ 198.97228 132.2
[M+H-H2O]+ 143.00638 119.6
[M+HCOO]- 205.00732 144.4
[M+CH3COO]- 219.02297 176.2
[M+Na-2H]- 180.98379 131.5
[M]+ 160.00857 126.7
[M]- 160.00967 126.7
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

patents stripe