CID 102473728

1-(butylselanyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol

Structural Information

Molecular Formula
C8H11F7OSe
SMILES
CCCC[Se]C(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H11F7OSe/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h5,16H,2-4H2,1H3
InChIKey
PFSBRGRDTLSALE-UHFFFAOYSA-N
Compound name
1-butylselanyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

335.98633 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99361 166.1
[M+Na]+ 358.97555 172.6
[M-H]- 334.97905 155.6
[M+NH4]+ 354.02015 180.9
[M+K]+ 374.94949 169.7
[M+H-H2O]+ 318.98359 155.9
[M+HCOO]- 380.98453 173.8
[M+CH3COO]- 395.00018 199.3
[M+Na-2H]- 356.96100 166.8
[M]+ 335.98578 156.4
[M]- 335.98688 156.4
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

No patent data available for this compound.