CID 55302388

1-(chloromethoxy)-4-fluorobenzene

Structural Information

Molecular Formula
C7H6ClFO
SMILES
C1=CC(=CC=C1OCCl)F
InChI
InChI=1S/C7H6ClFO/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
InChIKey
QTZCJQOFRVIAPA-UHFFFAOYSA-N
Compound name
1-(chloromethoxy)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.00912 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 125.1
[M+Na]+ 182.99834 135.2
[M-H]- 159.00184 127.8
[M+NH4]+ 178.04294 147.1
[M+K]+ 198.97228 131.9
[M+H-H2O]+ 143.00638 120.0
[M+HCOO]- 205.00732 145.0
[M+CH3COO]- 219.02297 175.1
[M+Na-2H]- 180.98379 132.9
[M]+ 160.00857 127.0
[M]- 160.00967 127.0
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