CID 59105

101913-93-3

Structural Information

Molecular Formula
C9H8Cl2F10N2O2
SMILES
C(C(=NN)CC(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C9H8Cl2F10N2O2/c10-6(12,13)4(24,8(16,17)18)1-3(23-22)2-5(25,7(11,14)15)9(19,20)21/h24-25H,1-2,22H2
InChIKey
LGMUJSLDWXUYRS-UHFFFAOYSA-N
Compound name
1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-4-hydrazinylidene-2-(trifluoromethyl)heptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.98032 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.98760 172.7
[M+Na]+ 458.96954 180.5
[M-H]- 434.97304 160.1
[M+NH4]+ 454.01414 167.4
[M+K]+ 474.94348 174.8
[M+H-H2O]+ 418.97758 163.0
[M+HCOO]- 480.97852 167.4
[M+CH3COO]- 494.99417 223.4
[M+Na-2H]- 456.95499 176.4
[M]+ 435.97977 158.4
[M]- 435.98087 158.4
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.