CID 82597849

2309468-73-1

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1COCCNC1C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5-1-3-11-4-2-10-5/h5,10H,1-4H2
InChIKey
FQHKLKBBYSZVCQ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.07144 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 121.1
[M+Na]+ 192.060658 125.0
[M-H]- 168.064164 119.3
[M+NH4]+ 187.105263 136.7
[M+K]+ 208.034598 128.6
[M+H-H2O]+ 152.068700 113.3
[M+HCOO]- 214.069641 133.9
[M+CH3COO]- 228.085291 175.6
[M+Na-2H]- 190.046106 127.6
[M]+ 169.07089142 109.6
[M]- 169.07198858 109.6
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.