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]+ 469.912516 171.8
[M+Na]+ 491.894458 178.9
[M-H]- 467.897964 159.8
[M+NH4]+ 486.939063 179.8
[M+K]+ 507.868398 172.6
[M+H-H2O]+ 451.902500 165.4
[M+HCOO]- 513.903441 158.1
[M+CH3COO]- 527.919091 223.4
[M+Na-2H]- 489.879906 175.5
[M]+ 468.90469142 162.3
[M]- 468.90578858 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.