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

12845
Patents

276.07217 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07945 155.3
[M+Na]+ 299.06139 161.2
[M-H]- 275.06489 157.1
[M+NH4]+ 294.10599 167.6
[M+K]+ 315.03533 155.3
[M+H-H2O]+ 259.06943 149.6
[M+HCOO]- 321.07037 170.8
[M+CH3COO]- 335.08602 190.4
[M+Na-2H]- 297.04684 162.2
[M]+ 276.07162 147.3
[M]- 276.07272 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