CID 71264468

1807941-21-4

Structural Information

Molecular Formula
C8H7ClO2S
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=C(S2)Cl
InChI
InChI=1S/C8H7ClO2S/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1
InChIKey
FJXYZGVJJOLGLQ-RFZPGFLSSA-N
Compound name
(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.98553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99281 131.2
[M+Na]+ 224.97475 142.4
[M-H]- 200.97825 138.2
[M+NH4]+ 220.01935 148.2
[M+K]+ 240.94869 137.4
[M+H-H2O]+ 184.98279 127.0
[M+HCOO]- 246.98373 145.6
[M+CH3COO]- 260.99938 181.6
[M+Na-2H]- 222.96020 132.2
[M]+ 201.98498 137.0
[M]- 201.98608 137.0
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