CID 110555

68555-74-8

Structural Information

Molecular Formula
C8H8F11NO3S
SMILES
CN(CCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F11NO3S/c1-20(2-3-21)24(22,23)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h21H,2-3H2,1H3
InChIKey
BRBCKWCOTRPYGH-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

407.0049 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.01218 170.3
[M+Na]+ 429.99412 177.5
[M-H]- 405.99762 157.5
[M+NH4]+ 425.03872 167.4
[M+K]+ 445.96806 175.1
[M+H-H2O]+ 390.00216 157.2
[M+HCOO]- 452.00310 178.0
[M+CH3COO]- 466.01875 220.1
[M+Na-2H]- 427.97957 173.4
[M]+ 407.00435 156.9
[M]- 407.00545 156.9
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