CID 137943336

2-[1-(1,1-difluoroethyl)cyclopropyl]acetonitrile

Structural Information

Molecular Formula
C7H9F2N
SMILES
CC(C1(CC1)CC#N)(F)F
InChI
InChI=1S/C7H9F2N/c1-6(8,9)7(2-3-7)4-5-10/h2-4H2,1H3
InChIKey
DPVFNLSTDYYMPA-UHFFFAOYSA-N
Compound name
2-[1-(1,1-difluoroethyl)cyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.07031 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07759 121.8
[M+Na]+ 168.05953 137.3
[M-H]- 144.06303 126.3
[M+NH4]+ 163.10413 140.3
[M+K]+ 184.03347 132.7
[M+H-H2O]+ 128.06757 112.5
[M+HCOO]- 190.06851 140.7
[M+CH3COO]- 204.08416 191.1
[M+Na-2H]- 166.04498 131.2
[M]+ 145.06976 119.2
[M]- 145.07086 119.2
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.