CID 9591

Benzyl fluoride

Structural Information

Molecular Formula
C7H7F
SMILES
C1=CC=C(C=C1)CF
InChI
InChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MBXXQYJBFRRFCK-UHFFFAOYSA-N
Compound name
fluoromethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

18115
Patents

110.05318 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.060456 116.6
[M+Na]+ 133.042398 124.9
[M-H]- 109.045904 119.2
[M+NH4]+ 128.087003 139.5
[M+K]+ 149.016338 123.3
[M+H-H2O]+ 93.050440 110.8
[M+HCOO]- 155.051381 140.9
[M+CH3COO]- 169.067031 168.2
[M+Na-2H]- 131.027846 125.6
[M]+ 110.05263142 114.7
[M]- 110.05372858 114.7
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