CID 223101

4-chloro-2-fluoroanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
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 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

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Patent stripe

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