CID 642641

Phenylacetyl fluoride

Structural Information

Molecular Formula
C8H7FO
SMILES
C1=CC=C(C=C1)CC(=O)F
InChI
InChI=1S/C8H7FO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
KYSUNLMCQCEICR-UHFFFAOYSA-N
Compound name
2-phenylacetyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

138.0481 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 123.9
[M+Na]+ 161.037318 131.8
[M-H]- 137.040824 126.4
[M+NH4]+ 156.081923 145.4
[M+K]+ 177.011258 130.2
[M+H-H2O]+ 121.045360 117.7
[M+HCOO]- 183.046301 147.2
[M+CH3COO]- 197.061951 173.0
[M+Na-2H]- 159.022766 131.0
[M]+ 138.04755142 122.4
[M]- 138.04864858 122.4
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