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

13
Patents

161.06407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07135 127.9
[M+Na]+ 184.05329 144.7
[M-H]- 160.05679 135.8
[M+NH4]+ 179.09789 145.9
[M+K]+ 200.02723 137.9
[M+H-H2O]+ 144.06133 118.2
[M+HCOO]- 206.06227 149.8
[M+CH3COO]- 220.07792 193.0
[M+Na-2H]- 182.03874 137.2
[M]+ 161.06352 125.8
[M]- 161.06462 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