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

55
Patents

137.06522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 116.0
[M+Na]+ 160.05444 120.5
[M-H]- 136.05794 115.6
[M+NH4]+ 155.09904 134.4
[M+K]+ 176.02838 124.0
[M+H-H2O]+ 120.06248 109.0
[M+HCOO]- 182.06342 131.4
[M+CH3COO]- 196.07907 169.9
[M+Na-2H]- 158.03989 123.6
[M]+ 137.06467 105.9
[M]- 137.06577 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