CID 177746986

Ebc-389291

Structural Information

Molecular Formula
C5H7F2N3
SMILES
C1CNCC(C12N=N2)(F)F
InChI
InChI=1S/C5H7F2N3/c6-4(7)3-8-2-1-5(4)9-10-5/h8H,1-3H2
InChIKey
MHZRFQPHQCYUCL-UHFFFAOYSA-N
Compound name
4,4-difluoro-1,2,6-triazaspiro[2.5]oct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06808 136.2
[M+Na]+ 170.05002 146.9
[M-H]- 146.05352 135.1
[M+NH4]+ 165.09462 151.9
[M+K]+ 186.02396 144.6
[M+H-H2O]+ 130.05806 127.7
[M+HCOO]- 192.05900 151.6
[M+CH3COO]- 206.07465 147.5
[M+Na-2H]- 168.03547 144.6
[M]+ 147.06025 131.9
[M]- 147.06135 131.9
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

No patent data available for this compound.