CID 59504825

2-(3,3-difluorocyclobutyl)acetonitrile

Structural Information

Molecular Formula
C6H7F2N
SMILES
C1C(CC1(F)F)CC#N
InChI
InChI=1S/C6H7F2N/c7-6(8)3-5(4-6)1-2-9/h5H,1,3-4H2
InChIKey
GCUBKZXHAKEOKP-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

131.05466 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06194 115.1
[M+Na]+ 154.04388 124.4
[M-H]- 130.04738 117.1
[M+NH4]+ 149.08848 131.2
[M+K]+ 170.01782 126.3
[M+H-H2O]+ 114.05192 99.8
[M+HCOO]- 176.05286 132.5
[M+CH3COO]- 190.06851 188.8
[M+Na-2H]- 152.02933 121.8
[M]+ 131.05411 115.4
[M]- 131.05521 115.4
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