CID 123203

3880-03-3

Structural Information

Molecular Formula
C2H6F3NS
SMILES
CN(C)S(F)(F)F
InChI
InChI=1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3
InChIKey
SAVQQRYWWAGSQW-UHFFFAOYSA-N
Compound name
N-methyl-N-(trifluoro-lambda4-sulfanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1952
Patents

133.0173 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02458 117.1
[M+Na]+ 156.00652 125.6
[M-H]- 132.01002 115.6
[M+NH4]+ 151.05112 139.8
[M+K]+ 171.98046 125.8
[M+H-H2O]+ 116.01456 109.9
[M+HCOO]- 178.01550 133.3
[M+CH3COO]- 192.03115 176.1
[M+Na-2H]- 153.99197 121.0
[M]+ 133.01675 115.2
[M]- 133.01785 115.2
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