CID 9752

372-82-7

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

1
Patents

121.05391 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.061186 121.1
[M+Na]+ 144.043128 128.6
[M-H]- 120.046634 120.3
[M+NH4]+ 139.087733 142.9
[M+K]+ 160.017068 124.7
[M+H-H2O]+ 104.051170 120.6
[M+HCOO]- 166.052111 145.9
[M+CH3COO]- 180.067761 165.2
[M+Na-2H]- 142.028576 129.3
[M]+ 121.05336142 119.5
[M]- 121.05445858 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