CID 822225

4-(morpholin-4-yl)-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C11H13F3N2O
SMILES
C1COCCN1C2=CC(=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)9-7-8(1-2-10(9)15)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChIKey
DZEZKCZKDBIQSW-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

26
Patents

246.09799 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.105266 153.0
[M+Na]+ 269.087208 159.7
[M-H]- 245.090714 154.2
[M+NH4]+ 264.131813 167.0
[M+K]+ 285.061148 157.0
[M+H-H2O]+ 229.095250 142.7
[M+HCOO]- 291.096191 167.6
[M+CH3COO]- 305.111841 193.1
[M+Na-2H]- 267.072656 157.2
[M]+ 246.09744142 144.3
[M]- 246.09853858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe