CID 2060903

3-fluoro-4-methoxybenzyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

174.02477 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.032046 129.3
[M+Na]+ 197.013988 139.8
[M-H]- 173.017494 132.1
[M+NH4]+ 192.058593 151.0
[M+K]+ 212.987928 136.3
[M+H-H2O]+ 157.022030 124.2
[M+HCOO]- 219.022971 148.8
[M+CH3COO]- 233.038621 179.2
[M+Na-2H]- 194.999436 135.8
[M]+ 174.02422142 131.9
[M]- 174.02531858 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

literature stripe

Patent stripe

patents stripe