CID 177746986

4,4-difluoro-1,2,6-triazaspiro[2.5]oct-1-ene hydrochloride

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]+ 148.068076 136.2
[M+Na]+ 170.050018 146.9
[M-H]- 146.053524 135.1
[M+NH4]+ 165.094623 151.9
[M+K]+ 186.023958 144.6
[M+H-H2O]+ 130.058060 127.7
[M+HCOO]- 192.059001 151.6
[M+CH3COO]- 206.074651 147.5
[M+Na-2H]- 168.035466 144.6
[M]+ 147.06025142 131.9
[M]- 147.06134858 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.