CID 13442930

(1-chloro-2-fluoroethyl)benzene

Structural Information

Molecular Formula
C8H8ClF
SMILES
C1=CC=C(C=C1)C(CF)Cl
InChI
InChI=1S/C8H8ClF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
DYJOJBALERNQGT-UHFFFAOYSA-N
Compound name
(1-chloro-2-fluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

158.02986 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03714 127.4
[M+Na]+ 181.01908 135.9
[M-H]- 157.02258 129.6
[M+NH4]+ 176.06368 149.1
[M+K]+ 196.99302 132.2
[M+H-H2O]+ 141.02712 122.1
[M+HCOO]- 203.02806 145.7
[M+CH3COO]- 217.04371 175.9
[M+Na-2H]- 179.00453 134.1
[M]+ 158.02931 127.2
[M]- 158.03041 127.2
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