CID 86696851

2-({3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]propyl}amino)ethan-1-ol

Structural Information

Molecular Formula
C10H16F7NO3S
SMILES
C(CNCCO)CS(=O)(=O)CCC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H16F7NO3S/c11-8(9(12,13)14,10(15,16)17)2-7-22(20,21)6-1-3-18-4-5-19/h18-19H,1-7H2
InChIKey
NWCPLKBTZWJILQ-UHFFFAOYSA-N
Compound name
2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

363.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08118 170.9
[M+Na]+ 386.06312 176.6
[M-H]- 362.06662 160.1
[M+NH4]+ 381.10772 182.3
[M+K]+ 402.03706 172.5
[M+H-H2O]+ 346.07116 159.9
[M+HCOO]- 408.07210 175.0
[M+CH3COO]- 422.08775 209.5
[M+Na-2H]- 384.04857 172.8
[M]+ 363.07335 164.1
[M]- 363.07445 164.1
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