CID 10008

Fluorobenzene

Structural Information

Molecular Formula
C6H5F
SMILES
C1=CC=C(C=C1)F
InChI
InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
PYLWMHQQBFSUBP-UHFFFAOYSA-N
Compound name
fluorobenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3590
References

164411
Patents

96.03753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.044806 111.8
[M+Na]+ 119.02675 120.6
[M-H]- 95.030254 114.6
[M+NH4]+ 114.07135 135.3
[M+K]+ 135.00069 119.3
[M+H-H2O]+ 79.034790 106.2
[M+HCOO]- 141.03573 136.4
[M+CH3COO]- 155.05138 165.2
[M+Na-2H]- 117.01220 121.4
[M]+ 96.036981 109.6
[M]- 96.038079 109.6
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

patents stripe