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

16972
Patents

110.05318 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06046 116.6
[M+Na]+ 133.04240 124.9
[M-H]- 109.04590 119.2
[M+NH4]+ 128.08700 139.5
[M+K]+ 149.01634 123.3
[M+H-H2O]+ 93.050440 110.8
[M+HCOO]- 155.05138 140.9
[M+CH3COO]- 169.06703 168.2
[M+Na-2H]- 131.02785 125.6
[M]+ 110.05263 114.7
[M]- 110.05373 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