CID 71306217

1341039-23-3

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

50
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 121.1
[M+Na]+ 160.05444 128.4
[M+NH4]+ 155.09904 128.5
[M+K]+ 176.02838 124.1
[M-H]- 136.05794 120.1
[M+Na-2H]- 158.03989 126.3
[M]+ 137.06467 121.7
[M]- 137.06577 121.7
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