CID 4961739

1-(1-chloroethyl)-4-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

158.02986 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03714 127.7
[M+Na]+ 181.01908 141.8
[M+NH4]+ 176.06368 137.5
[M+K]+ 196.99302 134.2
[M-H]- 157.02258 129.6
[M+Na-2H]- 179.00453 135.7
[M]+ 158.02931 130.6
[M]- 158.03041 130.6
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

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