CID 68040

3-fluoro-1-nitropropane

Structural Information

Molecular Formula
C3H6FNO2
SMILES
C(C[N+](=O)[O-])CF
InChI
InChI=1S/C3H6FNO2/c4-2-1-3-5(6)7/h1-3H2
InChIKey
VTLREOOVLIJFTN-UHFFFAOYSA-N
Compound name
1-fluoro-3-nitropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

107.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04553 114.2
[M+Na]+ 130.02747 125.2
[M+NH4]+ 125.07207 122.2
[M+K]+ 146.00141 122.5
[M-H]- 106.03097 114.0
[M+Na-2H]- 128.01292 118.4
[M]+ 107.03770 115.3
[M]- 107.03880 115.3
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

patents stripe