CID 163880036

2,2,3,3-tetrafluoro-1-methylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H5F4N
SMILES
CC1(CC(C1(F)F)(F)F)C#N
InChI
InChI=1S/C6H5F4N/c1-4(3-11)2-5(7,8)6(4,9)10/h2H2,1H3
InChIKey
PSJNBPZVTSLIKA-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-1-methylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.03581 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04309 118.6
[M+Na]+ 190.02503 130.6
[M-H]- 166.02853 119.6
[M+NH4]+ 185.06963 137.2
[M+K]+ 205.99897 131.0
[M+H-H2O]+ 150.03307 104.7
[M+HCOO]- 212.03401 134.4
[M+CH3COO]- 226.04966 194.5
[M+Na-2H]- 188.01048 125.8
[M]+ 167.03526 117.9
[M]- 167.03636 117.9
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.