CID 16046474

(s,e)-2-methyl-n-(2,2,2-trifluoroethylidene)propane-2-sulfinamide

Structural Information

Molecular Formula
C6H10F3NOS
SMILES
CC(C)(C)[S@](=O)/N=C/C(F)(F)F
InChI
InChI=1S/C6H10F3NOS/c1-5(2,3)12(11)10-4-6(7,8)9/h4H,1-3H3/b10-4+/t12-/m0/s1
InChIKey
PLTNZADFUQGXSR-YCGNWBHESA-N
Compound name
(NE,S)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

201.04352 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05080 148.3
[M+Na]+ 224.03274 153.8
[M+NH4]+ 219.07734 153.1
[M+K]+ 240.00668 148.7
[M-H]- 200.03624 142.8
[M+Na-2H]- 222.01819 148.7
[M]+ 201.04297 147.5
[M]- 201.04407 147.5
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