CID 138987588

2,3-difluoro-2,3-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H9F2N
SMILES
CC(C)(C(C)(C#N)F)F
InChI
InChI=1S/C6H9F2N/c1-5(2,7)6(3,8)4-9/h1-3H3
InChIKey
MAIMEQCLQNVRKN-UHFFFAOYSA-N
Compound name
2,3-difluoro-2,3-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 124.8
[M+Na]+ 156.059528 134.3
[M-H]- 132.063034 123.8
[M+NH4]+ 151.104133 144.8
[M+K]+ 172.033468 134.3
[M+H-H2O]+ 116.067570 113.4
[M+HCOO]- 178.068511 140.6
[M+CH3COO]- 192.084161 187.8
[M+Na-2H]- 154.044976 131.7
[M]+ 133.06976142 117.8
[M]- 133.07085858 117.8
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.