CID 297705

102489-67-8

Structural Information

Molecular Formula
C9H10ClF3S
SMILES
C1CC2CC1C3C2SC(C3(F)Cl)(F)F
InChI
InChI=1S/C9H10ClF3S/c10-8(11)6-4-1-2-5(3-4)7(6)14-9(8,12)13/h4-7H,1-3H2
InChIKey
RUXVSQHURRSDKA-UHFFFAOYSA-N
Compound name
5-chloro-4,4,5-trifluoro-3-thiatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01439 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02167 148.3
[M+Na]+ 265.00361 160.7
[M-H]- 241.00711 149.3
[M+NH4]+ 260.04821 179.4
[M+K]+ 280.97755 155.3
[M+H-H2O]+ 225.01165 145.2
[M+HCOO]- 287.01259 156.4
[M+CH3COO]- 301.02824 161.4
[M+Na-2H]- 262.98906 147.8
[M]+ 242.01384 147.9
[M]- 242.01494 147.9
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.