CID 155820213

2567489-43-2

Structural Information

Molecular Formula
C8H8BrClS
SMILES
C1[C@H]([C@@H]1C2=CC=C(S2)Br)CCl
InChI
InChI=1S/C8H8BrClS/c9-8-2-1-7(11-8)6-3-5(6)4-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1
InChIKey
MBESEBHPLONJPA-NTSWFWBYSA-N
Compound name
2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.92186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92914 132.9
[M+Na]+ 272.91108 149.0
[M-H]- 248.91458 143.7
[M+NH4]+ 267.95568 153.0
[M+K]+ 288.88502 135.7
[M+H-H2O]+ 232.91912 134.1
[M+HCOO]- 294.92006 147.6
[M+CH3COO]- 308.93571 149.4
[M+Na-2H]- 270.89653 137.1
[M]+ 249.92131 156.3
[M]- 249.92241 156.3
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.