CID 86696847

N-methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]butan-1-amine

Structural Information

Molecular Formula
C10H16F7NO2S
SMILES
CNCCCCS(=O)(=O)CCC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H16F7NO2S/c1-18-5-2-3-6-21(19,20)7-4-8(11,9(12,13)14)10(15,16)17/h18H,2-7H2,1H3
InChIKey
TZCHQKSQEHQAMP-UHFFFAOYSA-N
Compound name
N-methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

347.079 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08628 168.3
[M+Na]+ 370.06822 174.7
[M-H]- 346.07172 159.1
[M+NH4]+ 365.11282 181.2
[M+K]+ 386.04216 170.9
[M+H-H2O]+ 330.07626 157.3
[M+HCOO]- 392.07720 173.6
[M+CH3COO]- 406.09285 210.1
[M+Na-2H]- 368.05367 170.2
[M]+ 347.07845 162.0
[M]- 347.07955 162.0
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