CID 25072955

6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C5H5F2NO
SMILES
C1C2C(C2(F)F)C(=O)N1
InChI
InChI=1S/C5H5F2NO/c6-5(7)2-1-8-4(9)3(2)5/h2-3H,1H2,(H,8,9)
InChIKey
ITWSYPVTIHBDAL-UHFFFAOYSA-N
Compound name
6,6-difluoro-3-azabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

133.03392 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04120 121.9
[M+Na]+ 156.02314 134.2
[M-H]- 132.02664 122.8
[M+NH4]+ 151.06774 141.8
[M+K]+ 171.99708 130.6
[M+H-H2O]+ 116.03118 116.0
[M+HCOO]- 178.03212 140.5
[M+CH3COO]- 192.04777 172.4
[M+Na-2H]- 154.00859 127.9
[M]+ 133.03337 120.4
[M]- 133.03447 120.4
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