CID 118432889

1818257-41-8

Structural Information

Molecular Formula
C8H7BrO2S
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CSC(=C2)Br
InChI
InChI=1S/C8H7BrO2S/c9-7-1-4(3-12-7)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11)/t5-,6+/m0/s1
InChIKey
WPMXSYQGUFJOPQ-NTSWFWBYSA-N
Compound name
(1R,2R)-2-(5-bromothiophen-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

245.93501 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94229 131.5
[M+Na]+ 268.92423 134.8
[M+NH4]+ 263.96883 137.3
[M+K]+ 284.89817 137.2
[M-H]- 244.92773 138.0
[M+Na-2H]- 266.90968 136.5
[M]+ 245.93446 133.9
[M]- 245.93556 133.9
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