CID 137235154

2-diazo-4,4,5,5,6,6,6-heptafluoro-1-phenylhexane-1,3-dione

Structural Information

Molecular Formula
C12H5F7N2O2
SMILES
C1=CC=C(C=C1)C(=O)C(=[N+]=[N-])C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F7N2O2/c13-10(14,11(15,16)12(17,18)19)9(23)7(21-20)8(22)6-4-2-1-3-5-6/h1-5H
InChIKey
TUUJHDIWSQTICP-UHFFFAOYSA-N
Compound name
2-diazo-4,4,5,5,6,6,6-heptafluoro-1-phenylhexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.02393 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03121 160.3
[M+Na]+ 365.01315 167.1
[M-H]- 341.01665 156.3
[M+NH4]+ 360.05775 172.6
[M+K]+ 380.98709 159.2
[M+H-H2O]+ 325.02119 153.4
[M+HCOO]- 387.02213 174.1
[M+CH3COO]- 401.03778 206.7
[M+Na-2H]- 362.99860 166.1
[M]+ 342.02338 147.4
[M]- 342.02448 147.4
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

No patent data available for this compound.