CID 82597848

7-(trifluoromethyl)-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1CNCCOC1C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5-1-2-10-3-4-11-5/h5,10H,1-4H2
InChIKey
HYRNNTIGOSDYSO-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07144 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 121.1
[M+Na]+ 192.06066 125.0
[M-H]- 168.06416 119.3
[M+NH4]+ 187.10526 136.7
[M+K]+ 208.03460 128.6
[M+H-H2O]+ 152.06870 113.3
[M+HCOO]- 214.06964 133.9
[M+CH3COO]- 228.08529 175.6
[M+Na-2H]- 190.04611 127.6
[M]+ 169.07089 109.6
[M]- 169.07199 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.