CID 299402

3-(1,3-dichloro-2-hydroxy-1,1,3,3-tetrafluoro-2-propyl)-2-norbornanol

Structural Information

Molecular Formula
C10H12Cl2F4O2
SMILES
C1CC2CC1C(C2O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C10H12Cl2F4O2/c11-9(13,14)8(18,10(12,15)16)6-4-1-2-5(3-4)7(6)17/h4-7,17-18H,1-3H2
InChIKey
XAWZTQQOZYYRRI-UHFFFAOYSA-N
Compound name
3-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.01505 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02233 164.8
[M+Na]+ 333.00427 173.6
[M-H]- 309.00777 159.8
[M+NH4]+ 328.04887 184.7
[M+K]+ 348.97821 167.1
[M+H-H2O]+ 293.01231 160.8
[M+HCOO]- 355.01325 164.8
[M+CH3COO]- 369.02890 196.4
[M+Na-2H]- 330.98972 166.6
[M]+ 310.01450 159.7
[M]- 310.01560 159.7
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.