CID 36957

Nsc 162157

Structural Information

Molecular Formula
C12H12Cl2F4O2
SMILES
CC(C(C1=CC=CC=C1)O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C12H12Cl2F4O2/c1-7(9(19)8-5-3-2-4-6-8)10(20,11(13,15)16)12(14,17)18/h2-7,9,19-20H,1H3
InChIKey
ZAOABIPUJDDYHX-UHFFFAOYSA-N
Compound name
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.01505 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02233 159.9
[M+Na]+ 357.00427 167.3
[M-H]- 333.00777 155.4
[M+NH4]+ 352.04887 173.5
[M+K]+ 372.97821 161.2
[M+H-H2O]+ 317.01231 153.6
[M+HCOO]- 379.01325 161.0
[M+CH3COO]- 393.02890 201.5
[M+Na-2H]- 354.98972 163.0
[M]+ 334.01450 156.1
[M]- 334.01560 156.1
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.