CID 9570952

100700-40-1

Structural Information

Molecular Formula
C11H9Cl2F4NO2
SMILES
C1=CC=C(C=C1)/C(=N\O)/CC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C11H9Cl2F4NO2/c12-10(14,15)9(19,11(13,16)17)6-8(18-20)7-4-2-1-3-5-7/h1-5,19-20H,6H2/b18-8-
InChIKey
KVKALHJOIUZSJD-LSCVHKIXSA-N
Compound name
(4Z)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-hydroxyimino-4-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.99466 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00194 161.2
[M+Na]+ 355.98388 169.1
[M-H]- 331.98738 158.0
[M+NH4]+ 351.02848 175.2
[M+K]+ 371.95782 162.9
[M+H-H2O]+ 315.99192 154.2
[M+HCOO]- 377.99286 166.1
[M+CH3COO]- 392.00851 203.4
[M+Na-2H]- 353.96933 166.4
[M]+ 332.99411 157.9
[M]- 332.99521 157.9
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.