CID 146099578

2649002-66-2

Structural Information

Molecular Formula
C7H10F2N2O
SMILES
C1CNCC12CC(=NO2)C(F)F
InChI
InChI=1S/C7H10F2N2O/c8-6(9)5-3-7(12-11-5)1-2-10-4-7/h6,10H,1-4H2
InChIKey
TXSNHAFQSWWHKA-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08341 133.6
[M+Na]+ 199.06535 140.9
[M-H]- 175.06885 133.1
[M+NH4]+ 194.10995 154.4
[M+K]+ 215.03929 140.0
[M+H-H2O]+ 159.07339 125.7
[M+HCOO]- 221.07433 149.5
[M+CH3COO]- 235.08998 145.6
[M+Na-2H]- 197.05080 136.6
[M]+ 176.07558 126.8
[M]- 176.07668 126.8
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.