CID 50989414

2694744-71-1

Structural Information

Molecular Formula
C5H7F2NO
SMILES
C1COC2C(C2(F)F)N1
InChI
InChI=1S/C5H7F2NO/c6-5(7)3-4(5)9-2-1-8-3/h3-4,8H,1-2H2
InChIKey
SPSDUMGUYKJJBB-UHFFFAOYSA-N
Compound name
7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04958 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05686 124.8
[M+Na]+ 158.03880 135.2
[M-H]- 134.04230 125.8
[M+NH4]+ 153.08340 141.4
[M+K]+ 174.01274 134.0
[M+H-H2O]+ 118.04684 117.6
[M+HCOO]- 180.04778 140.3
[M+CH3COO]- 194.06343 172.3
[M+Na-2H]- 156.02425 133.4
[M]+ 135.04903 122.1
[M]- 135.05013 122.1
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.