CID 98712

35474-70-5

Structural Information

Molecular Formula
C10H8Cl2F4O
SMILES
C1CC2CC1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2=O
InChI
InChI=1S/C10H8Cl2F4O/c11-9(13,14)8(10(12,15)16)6-4-1-2-5(3-4)7(6)17/h4-5H,1-3H2
InChIKey
OFBNFLKOUJGNRK-UHFFFAOYSA-N
Compound name
3-(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ylidene)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.98883 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99611 160.8
[M+Na]+ 312.97805 170.6
[M-H]- 288.98155 158.2
[M+NH4]+ 308.02265 182.6
[M+K]+ 328.95199 163.8
[M+H-H2O]+ 272.98609 155.7
[M+HCOO]- 334.98703 164.4
[M+CH3COO]- 349.00268 197.2
[M+Na-2H]- 310.96350 160.5
[M]+ 289.98828 156.4
[M]- 289.98938 156.4
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.