CID 59112310

Schembl14265448

Structural Information

Molecular Formula
C13H12ClF17Si
SMILES
C(C[Si](CCC(F)(F)F)(CCC(F)(F)F)Cl)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H12ClF17Si/c14-32(5-2-8(17,18)19,6-3-9(20,21)22)4-1-7(15,16)10(23,24)11(25,26)12(27,28)13(29,30)31/h1-6H2
InChIKey
ZFCDQORUBFQPDY-UHFFFAOYSA-N
Compound name
chloro-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

554.0125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.01978 182.8
[M+Na]+ 577.00172 188.8
[M-H]- 553.00522 187.1
[M+NH4]+ 572.04632 191.3
[M+K]+ 592.97566 198.0
[M+H-H2O]+ 537.00976 172.5
[M+HCOO]- 599.01070 202.6
[M+CH3COO]- 613.02635 243.1
[M+Na-2H]- 574.98717 180.8
[M]+ 554.01195 183.2
[M]- 554.01305 183.2
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

patents stripe