CID 14415725

Benzene, 1-(2-chloroethyl)-3-fluoro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

158.02986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03714 127.4
[M+Na]+ 181.01908 141.8
[M+NH4]+ 176.06368 137.3
[M+K]+ 196.99302 133.4
[M-H]- 157.02258 129.4
[M+Na-2H]- 179.00453 135.7
[M]+ 158.02931 130.4
[M]- 158.03041 130.4
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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