CID 59096

101913-84-2

Structural Information

Molecular Formula
C11H12Cl2F10N2O2
SMILES
CN(C)N=C(CC(C(F)(F)F)(C(F)(F)Cl)O)CC(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C11H12Cl2F10N2O2/c1-25(2)24-5(3-6(26,8(12,14)15)10(18,19)20)4-7(27,9(13,16)17)11(21,22)23/h26-27H,3-4H2,1-2H3
InChIKey
UGRBDSWRUBGXPQ-UHFFFAOYSA-N
Compound name
1-chloro-6-[chloro(difluoro)methyl]-4-(dimethylhydrazinylidene)-1,1,7,7,7-pentafluoro-2-(trifluoromethyl)heptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.01163 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.01891 180.1
[M+Na]+ 487.00085 187.5
[M-H]- 463.00435 169.2
[M+NH4]+ 482.04545 185.5
[M+K]+ 502.97479 183.0
[M+H-H2O]+ 447.00889 170.0
[M+HCOO]- 509.00983 190.9
[M+CH3COO]- 523.02548 232.3
[M+Na-2H]- 484.98630 183.5
[M]+ 464.01108 168.9
[M]- 464.01218 168.9
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.