CID 302686

2-(chloromethyl)-4-fluoro-1-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
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

No literature data available for this compound.

Patent stripe

patents stripe