CID 125492350

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)morpholine

Structural Information

Molecular Formula
C12H8F17NO3S
SMILES
C1COCCN1S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F17NO3S/c13-5(14,7(17,18)9(21,22)11(25,26)27)6(15,16)8(19,20)10(23,24)12(28,29)34(31,32)30-1-3-33-4-2-30/h1-4H2
InChIKey
VVSMORRIDUQEFJ-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

568.99536 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.00264 206.7
[M+Na]+ 591.98458 213.2
[M-H]- 567.98808 181.3
[M+NH4]+ 587.02918 184.9
[M+K]+ 607.95852 210.5
[M+H-H2O]+ 551.99262 189.6
[M+HCOO]- 613.99356 201.9
[M+CH3COO]- 628.00921 242.2
[M+Na-2H]- 589.97003 210.7
[M]+ 568.99481 181.3
[M]- 568.99591 181.3
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.