CID 18525884

892502-13-5

Structural Information

Molecular Formula
C11H11BrF3NO
SMILES
C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)Br
InChI
InChI=1S/C11H11BrF3NO/c12-9-7-8(11(13,14)15)1-2-10(9)16-3-5-17-6-4-16/h1-2,7H,3-6H2
InChIKey
AGOXTIRRUBMZKH-UHFFFAOYSA-N
Compound name
4-[2-bromo-4-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.99762 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.00490 164.0
[M+Na]+ 331.98684 174.3
[M-H]- 307.99034 168.3
[M+NH4]+ 327.03144 179.9
[M+K]+ 347.96078 163.6
[M+H-H2O]+ 291.99488 160.7
[M+HCOO]- 353.99582 176.2
[M+CH3COO]- 368.01147 198.3
[M+Na-2H]- 329.97229 169.2
[M]+ 308.99707 176.1
[M]- 308.99817 176.1
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.