CID 98983

Nsc 160200

Structural Information

Molecular Formula
C10H10Cl2F4O2
SMILES
C1CC2CC1C(C2=O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C10H10Cl2F4O2/c11-9(13,14)8(18,10(12,15)16)6-4-1-2-5(3-4)7(6)17/h4-6,18H,1-3H2
InChIKey
PHHMEPBQQJPGJN-UHFFFAOYSA-N
Compound name
3-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.9994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.00668 164.4
[M+Na]+ 330.98862 173.9
[M-H]- 306.99212 160.8
[M+NH4]+ 326.03322 185.0
[M+K]+ 346.96256 167.7
[M+H-H2O]+ 290.99666 160.1
[M+HCOO]- 352.99760 166.1
[M+CH3COO]- 367.01325 197.9
[M+Na-2H]- 328.97407 166.5
[M]+ 307.99885 160.4
[M]- 307.99995 160.4
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.