CID 20117582

2-[(5-bromothiophen-2-yl)formamido]acetic acid

Structural Information

Molecular Formula
C7H6BrNO3S
SMILES
C1=C(SC(=C1)Br)C(=O)NCC(=O)O
InChI
InChI=1S/C7H6BrNO3S/c8-5-2-1-4(13-5)7(12)9-3-6(10)11/h1-2H,3H2,(H,9,12)(H,10,11)
InChIKey
JIQDHNPTTUFNOP-UHFFFAOYSA-N
Compound name
2-[(5-bromothiophene-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.92517 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.93245 141.1
[M+Na]+ 285.91439 140.4
[M+NH4]+ 280.95899 144.6
[M+K]+ 301.88833 142.9
[M-H]- 261.91789 139.7
[M+Na-2H]- 283.89984 141.6
[M]+ 262.92462 139.4
[M]- 262.92572 139.4
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

patents stripe