CID 59092

101913-80-8

Structural Information

Molecular Formula
C9H7Cl4F8NO3
SMILES
C(C(=NO)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C9H7Cl4F8NO3/c10-6(14,15)4(23,7(11,16)17)1-3(22-25)2-5(24,8(12,18)19)9(13,20)21/h23-25H,1-2H2
InChIKey
RFBJFEPPFAZMQR-UHFFFAOYSA-N
Compound name
1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-4-hydroxyiminoheptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.90524 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.91252 171.8
[M+Na]+ 491.89446 178.9
[M-H]- 467.89796 159.8
[M+NH4]+ 486.93906 179.8
[M+K]+ 507.86840 172.6
[M+H-H2O]+ 451.90250 165.4
[M+HCOO]- 513.90344 158.1
[M+CH3COO]- 527.91909 223.4
[M+Na-2H]- 489.87991 175.5
[M]+ 468.90469 162.3
[M]- 468.90579 162.3
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.