CID 18926418

1-(chloromethyl)-4-(fluoromethyl)benzene

Structural Information

Molecular Formula
C8H8ClF
SMILES
C1=CC(=CC=C1CF)CCl
InChI
InChI=1S/C8H8ClF/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6H2
InChIKey
CEOBSAZJYDIEMT-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(fluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

158.02986 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe