CID 59678456

Schembl14265425

Structural Information

Molecular Formula
C12H14ClF13Si
SMILES
CC[Si](CC)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C12H14ClF13Si/c1-3-27(13,4-2)6-5-7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h3-6H2,1-2H3
InChIKey
BNBTVKFXDNDVPW-UHFFFAOYSA-N
Compound name
chloro-diethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

468.03458 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.04186 190.1
[M+Na]+ 491.02380 198.6
[M-H]- 467.02730 176.2
[M+NH4]+ 486.06840 182.1
[M+K]+ 506.99774 193.0
[M+H-H2O]+ 451.03184 176.9
[M+HCOO]- 513.03278 195.4
[M+CH3COO]- 527.04843 231.4
[M+Na-2H]- 489.00925 192.2
[M]+ 468.03403 173.4
[M]- 468.03513 173.4
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

patents stripe