CID 165828618

Rac-(1r,2r)-2-(2-chloro-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H6ClNO2S
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CN=C(S2)Cl
InChI
InChI=1S/C7H6ClNO2S/c8-7-9-2-5(12-7)3-1-4(3)6(10)11/h2-4H,1H2,(H,10,11)/t3-,4-/m1/s1
InChIKey
UVTNFPFCFGMKAX-QWWZWVQMSA-N
Compound name
(1R,2R)-2-(2-chloro-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.98077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98805 133.7
[M+Na]+ 225.96999 145.4
[M-H]- 201.97349 139.4
[M+NH4]+ 221.01459 149.4
[M+K]+ 241.94393 140.3
[M+H-H2O]+ 185.97803 128.7
[M+HCOO]- 247.97897 147.3
[M+CH3COO]- 261.99462 181.3
[M+Na-2H]- 223.95544 134.7
[M]+ 202.98022 139.5
[M]- 202.98132 139.5
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.