CID 109920

68239-74-7

Structural Information

Molecular Formula
C11H12F13NO3S
SMILES
CN(CCCCO)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F13NO3S/c1-25(4-2-3-5-26)29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h26H,2-5H2,1H3
InChIKey
UXBLTIRZNSMGNQ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)-N-methylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

76
Patents

485.03302 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.04030 173.1
[M+Na]+ 508.02224 178.8
[M-H]- 484.02574 179.0
[M+NH4]+ 503.06684 181.9
[M+K]+ 523.99618 184.4
[M+H-H2O]+ 468.03028 163.3
[M+HCOO]- 530.03122 190.4
[M+CH3COO]- 544.04687 234.1
[M+Na-2H]- 506.00769 169.9
[M]+ 485.03247 173.0
[M]- 485.03357 173.0
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