CID 2777910

53566-38-4

Structural Information

Molecular Formula
C19H31F3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C7H4F3.3C4H9.Sn/c8-7(9,10)6-4-2-1-3-5-6;3*1-3-4-2;/h1-2,4-5H;3*1,3-4H2,2H3;
InChIKey
LBIOKWLHIBBLEI-UHFFFAOYSA-N
Compound name
tributyl-[3-(trifluoromethyl)phenyl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

436.13998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14726 204.3
[M+Na]+ 459.12920 208.3
[M-H]- 435.13270 201.8
[M+NH4]+ 454.17380 217.6
[M+K]+ 475.10314 202.6
[M+H-H2O]+ 419.13724 193.9
[M+HCOO]- 481.13818 217.5
[M+CH3COO]- 495.15383 218.2
[M+Na-2H]- 457.11465 203.2
[M]+ 436.13943 203.9
[M]- 436.14053 203.9
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