CID 70233110

1-(chloromethoxy)-2-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

160.00912 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.016396 125.1
[M+Na]+ 182.998338 135.2
[M-H]- 159.001844 127.8
[M+NH4]+ 178.042943 147.1
[M+K]+ 198.972278 131.9
[M+H-H2O]+ 143.006380 120.0
[M+HCOO]- 205.007321 145.0
[M+CH3COO]- 219.022971 175.1
[M+Na-2H]- 180.983786 132.9
[M]+ 160.00857142 127.0
[M]- 160.00966858 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