CID 2773584

3-chloro-2-fluoroanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

160.00912 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 125.6
[M+Na]+ 182.99834 140.0
[M+NH4]+ 178.04294 135.0
[M+K]+ 198.97228 132.7
[M-H]- 159.00184 127.2
[M+Na-2H]- 180.98379 133.5
[M]+ 160.00857 128.4
[M]- 160.00967 128.4
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