CID 137928735

2253631-70-6

Structural Information

Molecular Formula
C6H10F3NO2S
SMILES
CS(=O)(=O)[C@]1(C[C@@H]1C(F)(F)F)CN
InChI
InChI=1S/C6H10F3NO2S/c1-13(11,12)5(3-10)2-4(5)6(7,8)9/h4H,2-3,10H2,1H3/t4-,5+/m0/s1
InChIKey
WOMWMCPXVZSHGR-CRCLSJGQSA-N
Compound name
[(1S,2R)-1-methylsulfonyl-2-(trifluoromethyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04572 132.2
[M+Na]+ 240.02766 142.3
[M-H]- 216.03116 132.8
[M+NH4]+ 235.07226 147.7
[M+K]+ 256.00160 139.3
[M+H-H2O]+ 200.03570 125.7
[M+HCOO]- 262.03664 145.6
[M+CH3COO]- 276.05229 187.9
[M+Na-2H]- 238.01311 137.0
[M]+ 217.03789 132.6
[M]- 217.03899 132.6
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.