CID 68155

3-fluoropropanenitrile

Structural Information

Molecular Formula
C3H4FN
SMILES
C(CF)C#N
InChI
InChI=1S/C3H4FN/c4-2-1-3-5/h1-2H2
InChIKey
UBAVIHIGWASOOU-UHFFFAOYSA-N
Compound name
3-fluoropropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

683
Patents

73.032776 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.040052 105.5
[M+Na]+ 96.021994 115.7
[M-H]- 72.025500 105.7
[M+NH4]+ 91.066599 127.7
[M+K]+ 111.99593 115.7
[M+H-H2O]+ 56.030036 94.5
[M+HCOO]- 118.03098 126.0
[M+CH3COO]- 132.04663 176.5
[M+Na-2H]- 94.007442 114.0
[M]+ 73.032227 99.9
[M]- 73.033325 99.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe