CID 9752

Butane, 4-fluoro-1-nitro-

Structural Information

Molecular Formula
C4H8FNO2
SMILES
C(CCF)C[N+](=O)[O-]
InChI
InChI=1S/C4H8FNO2/c5-3-1-2-4-6(7)8/h1-4H2
InChIKey
KAWJTSCSPSPVND-UHFFFAOYSA-N
Compound name
1-fluoro-4-nitrobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.05391 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06119 121.1
[M+Na]+ 144.04313 128.6
[M-H]- 120.04663 120.3
[M+NH4]+ 139.08773 142.9
[M+K]+ 160.01707 124.7
[M+H-H2O]+ 104.05117 120.6
[M+HCOO]- 166.05211 145.9
[M+CH3COO]- 180.06776 165.2
[M+Na-2H]- 142.02858 129.3
[M]+ 121.05336 119.5
[M]- 121.05446 119.5
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