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

30
Patents

107.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.045526 116.2
[M+Na]+ 130.027468 124.1
[M-H]- 106.030974 115.6
[M+NH4]+ 125.072073 138.5
[M+K]+ 146.001408 120.5
[M+H-H2O]+ 90.035510 115.9
[M+HCOO]- 152.036451 141.3
[M+CH3COO]- 166.052101 162.2
[M+Na-2H]- 128.012916 125.0
[M]+ 107.03770142 114.3
[M]- 107.03879858 114.3
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