CID 43140195

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C9H6BrNO2S2
SMILES
C1=C(SC=C1Br)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H6BrNO2S2/c10-5-1-7(14-3-5)9-11-6(4-15-9)2-8(12)13/h1,3-4H,2H2,(H,12,13)
InChIKey
DIWICFWGJWBALI-UHFFFAOYSA-N
Compound name
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.90234 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.90962 144.3
[M+Na]+ 325.89156 160.3
[M-H]- 301.89506 153.2
[M+NH4]+ 320.93616 166.5
[M+K]+ 341.86550 147.9
[M+H-H2O]+ 285.89960 146.1
[M+HCOO]- 347.90054 158.4
[M+CH3COO]- 361.91619 160.4
[M+Na-2H]- 323.87701 145.8
[M]+ 302.90179 167.7
[M]- 302.90289 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.