CID 495692

Nsc666405

Structural Information

Molecular Formula
C16H30BF3OS
SMILES
[B-](OC1CCCCCCCCCCC1[S+]2CCCC2)(F)(F)F
InChI
InChI=1S/C16H30BF3OS/c18-17(19,20)21-15-11-7-5-3-1-2-4-6-8-12-16(15)22-13-9-10-14-22/h15-16H,1-14H2
InChIKey
JDSVMTIJSAJGFL-UHFFFAOYSA-N
Compound name
trifluoro-[2-(thiolan-1-ium-1-yl)cyclododecyl]oxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.20624 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21352 173.6
[M+Na]+ 361.19546 173.6
[M-H]- 337.19896 170.6
[M+NH4]+ 356.24006 185.1
[M+K]+ 377.16940 165.8
[M+H-H2O]+ 321.20350 172.6
[M+HCOO]- 383.20444 177.8
[M+CH3COO]- 397.22009 190.8
[M+Na-2H]- 359.18091 169.0
[M]+ 338.20569 155.8
[M]- 338.20679 155.8
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.