CID 59099

101913-87-5

Structural Information

Molecular Formula
C11H12F12N2O2
SMILES
CN(C)N=C(CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C11H12F12N2O2/c1-25(2)24-5(3-6(26,8(12,13)14)9(15,16)17)4-7(27,10(18,19)20)11(21,22)23/h26-27H,3-4H2,1-2H3
InChIKey
LFSNEOLCHCTNCL-UHFFFAOYSA-N
Compound name
4-(dimethylhydrazinylidene)-1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.07798 169.6
[M+Na]+ 455.05992 179.2
[M-H]- 431.06342 179.4
[M+NH4]+ 450.10452 177.9
[M+K]+ 471.03386 186.6
[M+H-H2O]+ 415.06796 168.5
[M+HCOO]- 477.06890 183.8
[M+CH3COO]- 491.08455 229.6
[M+Na-2H]- 453.04537 184.0
[M]+ 432.07015 164.9
[M]- 432.07125 164.9
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.