CID 59102

101913-90-0

Structural Information

Molecular Formula
C15H12F12N2O2
SMILES
C1=CC=C(C=C1)NN=C(CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C15H12F12N2O2/c16-12(17,18)10(30,13(19,20)21)6-9(29-28-8-4-2-1-3-5-8)7-11(31,14(22,23)24)15(25,26)27/h1-5,28,30-31H,6-7H2
InChIKey
QUMFZWRXKISFMS-UHFFFAOYSA-N
Compound name
1,1,1,7,7,7-hexafluoro-4-(phenylhydrazinylidene)-2,6-bis(trifluoromethyl)heptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.0707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.07798 194.6
[M+Na]+ 503.05992 200.7
[M-H]- 479.06342 182.5
[M+NH4]+ 498.10452 200.5
[M+K]+ 519.03386 196.2
[M+H-H2O]+ 463.06796 179.9
[M+HCOO]- 525.06890 195.3
[M+CH3COO]- 539.08455 233.5
[M+Na-2H]- 501.04537 198.2
[M]+ 480.07015 174.9
[M]- 480.07125 174.9
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.