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]+ 134.07759 124.8
[M+Na]+ 156.05953 134.3
[M-H]- 132.06303 123.8
[M+NH4]+ 151.10413 144.8
[M+K]+ 172.03347 134.3
[M+H-H2O]+ 116.06757 113.4
[M+HCOO]- 178.06851 140.6
[M+CH3COO]- 192.08416 187.8
[M+Na-2H]- 154.04498 131.7
[M]+ 133.06976 117.8
[M]- 133.07086 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.