CID 2734690

202289-38-1

Structural Information

Molecular Formula
C6H14F3NO2S
SMILES
COCCN(CCOC)S(F)(F)F
InChI
InChI=1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3
InChIKey
APOYTRAZFJURPB-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda4-sulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

16506
Patents

221.06973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07701 142.2
[M+Na]+ 244.05895 148.8
[M-H]- 220.06245 139.8
[M+NH4]+ 239.10355 161.3
[M+K]+ 260.03289 148.7
[M+H-H2O]+ 204.06699 133.8
[M+HCOO]- 266.06793 157.7
[M+CH3COO]- 280.08358 192.0
[M+Na-2H]- 242.04440 144.4
[M]+ 221.06918 144.7
[M]- 221.07028 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe