CID 2773581

2-chloro-6-fluoroanisole

Structural Information

Molecular Formula
C7H6ClFO
SMILES
COC1=C(C=CC=C1Cl)F
InChI
InChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKey
QASFEHCRPLPGES-UHFFFAOYSA-N
Compound name
1-chloro-3-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

160.00912 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe