CID 138394999

Crtruqaiulmfah-uhfffaoysa-m

Structural Information

Molecular Formula
C9H19F3NOS
SMILES
C[N+](C)(C)CC(CSCCC(F)(F)F)O
InChI
InChI=1S/C9H19F3NOS/c1-13(2,3)6-8(14)7-15-5-4-9(10,11)12/h8,14H,4-7H2,1-3H3/q+1
InChIKey
AVNURISPAZWJFD-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(3,3,3-trifluoropropylsulfanyl)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11394 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.121216 146.7
[M+Na]+ 269.103158 152.2
[M-H]- 245.106664 143.0
[M+NH4]+ 264.147763 164.3
[M+K]+ 285.077098 144.9
[M+H-H2O]+ 229.111200 141.9
[M+HCOO]- 291.112141 157.7
[M+CH3COO]- 305.127791 189.3
[M+Na-2H]- 267.088606 150.6
[M]+ 246.11339142 144.3
[M]- 246.11448858 144.3
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.