CID 71306217

6,6-difluoro-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1COCC(CN1)(F)F
InChI
InChI=1S/C5H9F2NO/c6-5(7)3-8-1-2-9-4-5/h8H,1-4H2
InChIKey
YCIHVCYQAJLPIF-UHFFFAOYSA-N
Compound name
6,6-difluoro-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

137.06522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 116.0
[M+Na]+ 160.054438 120.5
[M-H]- 136.057944 115.6
[M+NH4]+ 155.099043 134.4
[M+K]+ 176.028378 124.0
[M+H-H2O]+ 120.062480 109.0
[M+HCOO]- 182.063421 131.4
[M+CH3COO]- 196.079071 169.9
[M+Na-2H]- 158.039886 123.6
[M]+ 137.06467142 105.9
[M]- 137.06576858 105.9
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