CID 79602688

2-(4-bromothiophen-3-yl)acetic acid

Structural Information

Molecular Formula
C6H5BrO2S
SMILES
C1=C(C(=CS1)Br)CC(=O)O
InChI
InChI=1S/C6H5BrO2S/c7-5-3-10-2-4(5)1-6(8)9/h2-3H,1H2,(H,8,9)
InChIKey
SESCJJUZTNWZIJ-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.91936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.92664 130.9
[M+Na]+ 242.90858 132.3
[M+NH4]+ 237.95318 135.9
[M+K]+ 258.88252 133.5
[M-H]- 218.91208 130.3
[M+Na-2H]- 240.89403 132.7
[M]+ 219.91881 129.9
[M]- 219.91991 129.9
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

No patent data available for this compound.