CID 84762861

2-(3,3-difluorocyclopentyl)acetonitrile

Structural Information

Molecular Formula
C7H9F2N
SMILES
C1CC(CC1CC#N)(F)F
InChI
InChI=1S/C7H9F2N/c8-7(9)3-1-6(5-7)2-4-10/h6H,1-3,5H2
InChIKey
NWTHVXPAXKKBCJ-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclopentyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.07031 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07759 122.8
[M+Na]+ 168.05953 133.3
[M-H]- 144.06303 124.0
[M+NH4]+ 163.10413 145.6
[M+K]+ 184.03347 129.9
[M+H-H2O]+ 128.06757 110.6
[M+HCOO]- 190.06851 140.8
[M+CH3COO]- 204.08416 186.7
[M+Na-2H]- 166.04498 127.6
[M]+ 145.06976 113.8
[M]- 145.07086 113.8
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

No patent data available for this compound.