CID 293431

102071-74-9

Structural Information

Molecular Formula
C11H10Cl2F4O
SMILES
C1=CC=C(C=C1)CCC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C11H10Cl2F4O/c12-10(14,15)9(18,11(13,16)17)7-6-8-4-2-1-3-5-8/h1-5,18H,6-7H2
InChIKey
XSUWAXSZANBTQJ-UHFFFAOYSA-N
Compound name
1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01178 156.4
[M+Na]+ 326.99372 165.2
[M-H]- 302.99722 153.1
[M+NH4]+ 322.03832 172.0
[M+K]+ 342.96766 158.4
[M+H-H2O]+ 287.00176 149.5
[M+HCOO]- 349.00270 160.7
[M+CH3COO]- 363.01835 197.5
[M+Na-2H]- 324.97917 162.0
[M]+ 304.00395 153.6
[M]- 304.00505 153.6
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.