CID 3557280

43028-69-9

Structural Information

Molecular Formula
C6H5NO3S
SMILES
C1=CSC(=C1C(=O)O)NC=O
InChI
InChI=1S/C6H5NO3S/c8-3-7-5-4(6(9)10)1-2-11-5/h1-3H,(H,7,8)(H,9,10)
InChIKey
ZWSJWGDWLCBNLV-UHFFFAOYSA-N
Compound name
2-formamidothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

170.99901 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.00629 134.4
[M+Na]+ 193.98823 143.0
[M+NH4]+ 189.03283 141.7
[M+K]+ 209.96217 138.9
[M-H]- 169.99173 134.5
[M+Na-2H]- 191.97368 137.8
[M]+ 170.99846 135.7
[M]- 170.99956 135.7
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

patents stripe