CID 2775793

62054-72-2

Structural Information

Molecular Formula
C11H11F3N2O3
SMILES
C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-9(10(7-8)16(17)18)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChIKey
UNDXPKDBFOOQFC-UHFFFAOYSA-N
Compound name
4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11637
Patents

276.07217 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.079446 155.3
[M+Na]+ 299.061388 161.2
[M-H]- 275.064894 157.1
[M+NH4]+ 294.105993 167.6
[M+K]+ 315.035328 155.3
[M+H-H2O]+ 259.069430 149.6
[M+HCOO]- 321.070371 170.8
[M+CH3COO]- 335.086021 190.4
[M+Na-2H]- 297.046836 162.2
[M]+ 276.07162142 147.3
[M]- 276.07271858 147.3
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