CID 155820869

Rac-2-chloro-1-[(1r,2r)-2-(thiophen-3-yl)cyclopropyl]ethan-1-one

Structural Information

Molecular Formula
C9H9ClOS
SMILES
C1[C@H]([C@@H]1C(=O)CCl)C2=CSC=C2
InChI
InChI=1S/C9H9ClOS/c10-4-9(11)8-3-7(8)6-1-2-12-5-6/h1-2,5,7-8H,3-4H2/t7-,8+/m0/s1
InChIKey
YKYXGTTVFPFXDY-JGVFFNPUSA-N
Compound name
2-chloro-1-[(1R,2R)-2-thiophen-3-ylcyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01355 133.6
[M+Na]+ 222.99549 144.2
[M-H]- 198.99899 141.5
[M+NH4]+ 218.04009 151.2
[M+K]+ 238.96943 139.7
[M+H-H2O]+ 183.00353 128.6
[M+HCOO]- 245.00447 149.1
[M+CH3COO]- 259.02012 184.1
[M+Na-2H]- 220.98094 134.9
[M]+ 200.00572 139.7
[M]- 200.00682 139.7
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.