CID 132398847

4-(4-chloro-1,1,1-trifluorobutan-2-yl)morpholine

Structural Information

Molecular Formula
C8H13ClF3NO
SMILES
C1COCCN1C(CCCl)C(F)(F)F
InChI
InChI=1S/C8H13ClF3NO/c9-2-1-7(8(10,11)12)13-3-5-14-6-4-13/h7H,1-6H2
InChIKey
FIZNWESGKCFNQE-UHFFFAOYSA-N
Compound name
4-(4-chloro-1,1,1-trifluorobutan-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07106 146.0
[M+Na]+ 254.05300 151.9
[M-H]- 230.05650 143.7
[M+NH4]+ 249.09760 161.8
[M+K]+ 270.02694 149.8
[M+H-H2O]+ 214.06104 137.7
[M+HCOO]- 276.06198 154.2
[M+CH3COO]- 290.07763 186.6
[M+Na-2H]- 252.03845 149.9
[M]+ 231.06323 141.0
[M]- 231.06433 141.0
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

No patent data available for this compound.