CID 3042969

Jpb 20

Structural Information

Molecular Formula
C11H9NO2S
SMILES
C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)N)O
InChI
InChI=1S/C11H9NO2S/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6,13H,12H2
InChIKey
RPKIEVYYKYOJQZ-UHFFFAOYSA-N
Compound name
(4-amino-3-hydroxyphenyl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04268 146.0
[M+Na]+ 242.02462 154.7
[M-H]- 218.02812 151.9
[M+NH4]+ 237.06922 165.6
[M+K]+ 257.99856 150.4
[M+H-H2O]+ 202.03266 140.1
[M+HCOO]- 264.03360 165.5
[M+CH3COO]- 278.04925 184.8
[M+Na-2H]- 240.01007 146.7
[M]+ 219.03485 146.0
[M]- 219.03595 146.0
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.