CID 2783058

2-(4-fluorophenoxy)acetonitrile

Structural Information

Molecular Formula
C8H6FNO
SMILES
C1=CC(=CC=C1OCC#N)F
InChI
InChI=1S/C8H6FNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChIKey
ODBGONFPCSVCCM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

151.04333 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 126.0
[M+Na]+ 174.03255 136.8
[M-H]- 150.03605 128.4
[M+NH4]+ 169.07715 145.2
[M+K]+ 190.00649 134.1
[M+H-H2O]+ 134.04059 113.4
[M+HCOO]- 196.04153 146.6
[M+CH3COO]- 210.05718 188.3
[M+Na-2H]- 172.01800 133.2
[M]+ 151.04278 121.2
[M]- 151.04388 121.2
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