CID 9555938

100482-81-3

Structural Information

Molecular Formula
C11H10Cl2F4N2O
SMILES
C1=CC=C(C=C1)N/N=C/CC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C11H10Cl2F4N2O/c12-10(14,15)9(20,11(13,16)17)6-7-18-19-8-4-2-1-3-5-8/h1-5,7,19-20H,6H2/b18-7+
InChIKey
INSNAKPJFGVZNH-CNHKJKLMSA-N
Compound name
(4E)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-(phenylhydrazinylidene)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.01062 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01790 164.7
[M+Na]+ 354.99984 172.4
[M-H]- 331.00334 162.4
[M+NH4]+ 350.04444 179.0
[M+K]+ 370.97378 165.9
[M+H-H2O]+ 315.00788 156.8
[M+HCOO]- 377.00882 172.6
[M+CH3COO]- 391.02447 208.0
[M+Na-2H]- 352.98529 171.2
[M]+ 332.01007 161.5
[M]- 332.01117 161.5
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.