CID 68572736

1204294-41-6

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1[C@H]([C@@H]1S(=O)(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C9H11NO2S/c10-13(11,12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,10,11,12)/t8-,9+/m0/s1
InChIKey
XNACGRLKLDYUKR-DTWKUNHWSA-N
Compound name
(1R,2S)-2-phenylcyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.05106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 135.3
[M+Na]+ 220.04028 145.3
[M-H]- 196.04378 142.8
[M+NH4]+ 215.08488 149.9
[M+K]+ 236.01422 141.2
[M+H-H2O]+ 180.04832 129.2
[M+HCOO]- 242.04926 154.8
[M+CH3COO]- 256.06491 185.0
[M+Na-2H]- 218.02573 140.4
[M]+ 197.05051 138.1
[M]- 197.05161 138.1
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

patents stripe