CID 59864213

4-(morpholinomethyl)-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
C1COCCN1CC2=C(C=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(16)2-1-9(11)8-17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKey
XJQAPCVYZHUIGD-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

260.11365 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12093 157.6
[M+Na]+ 283.10287 163.9
[M-H]- 259.10637 158.6
[M+NH4]+ 278.14747 171.0
[M+K]+ 299.07681 160.9
[M+H-H2O]+ 243.11091 147.1
[M+HCOO]- 305.11185 171.9
[M+CH3COO]- 319.12750 196.1
[M+Na-2H]- 281.08832 161.2
[M]+ 260.11310 149.3
[M]- 260.11420 149.3
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