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]+ 219.98298 143.7
[M+Na]+ 241.96492 152.1
[M-H]- 217.96842 146.8
[M+NH4]+ 237.00952 164.2
[M+K]+ 257.93886 148.3
[M+H-H2O]+ 201.97296 139.5
[M+HCOO]- 263.97390 158.2
[M+CH3COO]- 277.98955 181.8
[M+Na-2H]- 239.95037 144.0
[M]+ 218.97515 147.0
[M]- 218.97625 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.