CID 20026175

124276-55-7

Structural Information

Molecular Formula
C10H8FN
SMILES
C1CC1(C#N)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H8FN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKey
OFFLWDDLGSEGTI-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

161.06407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.071346 127.9
[M+Na]+ 184.053288 144.7
[M-H]- 160.056794 135.8
[M+NH4]+ 179.097893 145.9
[M+K]+ 200.027228 137.9
[M+H-H2O]+ 144.061330 118.2
[M+HCOO]- 206.062271 149.8
[M+CH3COO]- 220.077921 193.0
[M+Na-2H]- 182.038736 137.2
[M]+ 161.06352142 125.8
[M]- 161.06461858 125.8
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

patents stripe