CID 2959337

4-fluoro-5-(morpholin-4-yl)-2-nitroaniline

Structural Information

Molecular Formula
C10H12FN3O3
SMILES
C1COCCN1C2=C(C=C(C(=C2)N)[N+](=O)[O-])F
InChI
InChI=1S/C10H12FN3O3/c11-7-5-10(14(15)16)8(12)6-9(7)13-1-3-17-4-2-13/h5-6H,1-4,12H2
InChIKey
BQLAISVDXGXTNA-UHFFFAOYSA-N
Compound name
4-fluoro-5-morpholin-4-yl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

241.08627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09355 149.8
[M+Na]+ 264.07549 155.5
[M-H]- 240.07899 153.9
[M+NH4]+ 259.12009 163.1
[M+K]+ 280.04943 149.7
[M+H-H2O]+ 224.08353 145.4
[M+HCOO]- 286.08447 169.6
[M+CH3COO]- 300.10012 187.5
[M+Na-2H]- 262.06094 155.9
[M]+ 241.08572 143.0
[M]- 241.08682 143.0
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