CID 21933972

1-(1-chloroethyl)-3-fluorobenzene

Structural Information

Molecular Formula
C8H8ClF
SMILES
CC(C1=CC(=CC=C1)F)Cl
InChI
InChI=1S/C8H8ClF/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,1H3
InChIKey
JRVORWRZZBKIBX-UHFFFAOYSA-N
Compound name
1-(1-chloroethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

158.02986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.037136 126.6
[M+Na]+ 181.019078 136.0
[M-H]- 157.022584 129.2
[M+NH4]+ 176.063683 148.7
[M+K]+ 196.993018 132.4
[M+H-H2O]+ 141.027120 121.6
[M+HCOO]- 203.028061 145.0
[M+CH3COO]- 217.043711 177.0
[M+Na-2H]- 179.004526 132.6
[M]+ 158.02931142 126.8
[M]- 158.03040858 126.8
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