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

3594
References

158973
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.