CID 26343849

1076197-70-0

Structural Information

Molecular Formula
C8H8ClFO
SMILES
COC1=CC(=C(C=C1)F)CCl
InChI
InChI=1S/C8H8ClFO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChIKey
GLHVGEFEOAJQCI-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

174.02477 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 129.3
[M+Na]+ 197.01399 139.8
[M-H]- 173.01749 132.1
[M+NH4]+ 192.05859 151.0
[M+K]+ 212.98793 136.3
[M+H-H2O]+ 157.02203 124.2
[M+HCOO]- 219.02297 148.8
[M+CH3COO]- 233.03862 179.2
[M+Na-2H]- 194.99944 135.8
[M]+ 174.02422 131.9
[M]- 174.02532 131.9
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