CID 69535

646-63-9

Structural Information

Molecular Formula
C2ClF9S
SMILES
C(C(F)(F)Cl)(F)(F)S(F)(F)(F)(F)F
InChI
InChI=1S/C2ClF9S/c3-1(4,5)2(6,7)13(8,9,10,11)12
InChIKey
KUEFXXIVCUKGLZ-UHFFFAOYSA-N
Compound name
(2-chloro-1,1,2,2-tetrafluoroethyl)-pentafluoro-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.92654 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.93382 125.0
[M+Na]+ 284.91576 136.6
[M-H]- 260.91926 115.5
[M+NH4]+ 279.96036 142.8
[M+K]+ 300.88970 132.1
[M+H-H2O]+ 244.92380 115.8
[M+HCOO]- 306.92474 127.0
[M+CH3COO]- 320.94039 191.1
[M+Na-2H]- 282.90121 126.0
[M]+ 261.92599 115.5
[M]- 261.92709 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe