CID 12489741

1,1,1-trifluoro-n-methyl-methanesulfonamide

Structural Information

Molecular Formula
C2H4F3NO2S
SMILES
CNS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C2H4F3NO2S/c1-6-9(7,8)2(3,4)5/h6H,1H3
InChIKey
IJOCNCZJDBTBIP-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

639
Patents

162.99149 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.99877 123.0
[M+Na]+ 185.98071 132.1
[M-H]- 161.98421 120.1
[M+NH4]+ 181.02531 143.7
[M+K]+ 201.95465 130.7
[M+H-H2O]+ 145.98875 116.3
[M+HCOO]- 207.98969 138.0
[M+CH3COO]- 222.00534 174.3
[M+Na-2H]- 183.96616 128.5
[M]+ 162.99094 120.5
[M]- 162.99204 120.5
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