CID 11276495

4-[(3-fluoro-4-nitrophenyl)methyl]morpholine

Structural Information

Molecular Formula
C11H13FN2O3
SMILES
C1COCCN1CC2=CC(=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C11H13FN2O3/c12-10-7-9(1-2-11(10)14(15)16)8-13-3-5-17-6-4-13/h1-2,7H,3-6,8H2
InChIKey
ACIOGCCQBJMRIE-UHFFFAOYSA-N
Compound name
4-[(3-fluoro-4-nitrophenyl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

240.09102 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09830 150.8
[M+Na]+ 263.08024 156.1
[M-H]- 239.08374 155.0
[M+NH4]+ 258.12484 164.5
[M+K]+ 279.05418 150.6
[M+H-H2O]+ 223.08828 146.3
[M+HCOO]- 285.08922 169.9
[M+CH3COO]- 299.10487 185.3
[M+Na-2H]- 261.06569 157.5
[M]+ 240.09047 145.6
[M]- 240.09157 145.6
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