CID 67622

1-(2-chloroethyl)-4-fluorobenzene

Structural Information

Molecular Formula
C8H8ClF
SMILES
C1=CC(=CC=C1CCCl)F
InChI
InChI=1S/C8H8ClF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey
LPUURRVXQCVXCX-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

158.02986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03714 126.7
[M+Na]+ 181.01908 136.3
[M-H]- 157.02258 129.1
[M+NH4]+ 176.06368 148.8
[M+K]+ 196.99302 132.3
[M+H-H2O]+ 141.02712 121.5
[M+HCOO]- 203.02806 146.0
[M+CH3COO]- 217.04371 176.2
[M+Na-2H]- 179.00453 133.9
[M]+ 158.02931 127.5
[M]- 158.03041 127.5
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