CID 24212758

(((3-chloro-2-thienyl)carbonyl)amino)acetic acid

Structural Information

Molecular Formula
C7H6ClNO3S
SMILES
C1=CSC(=C1Cl)C(=O)NCC(=O)O
InChI
InChI=1S/C7H6ClNO3S/c8-4-1-2-13-6(4)7(12)9-3-5(10)11/h1-2H,3H2,(H,9,12)(H,10,11)
InChIKey
RFGHOYMAQFIMJB-UHFFFAOYSA-N
Compound name
2-[(3-chlorothiophene-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.9757 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.982976 143.7
[M+Na]+ 241.964918 152.1
[M-H]- 217.968424 146.8
[M+NH4]+ 237.009523 164.2
[M+K]+ 257.938858 148.3
[M+H-H2O]+ 201.972960 139.5
[M+HCOO]- 263.973901 158.2
[M+CH3COO]- 277.989551 181.8
[M+Na-2H]- 239.950366 144.0
[M]+ 218.97515142 147.0
[M]- 218.97624858 147.0
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

No patent data available for this compound.