CID 23009095

(3-aminophenyl)(thiophen-2-yl)methanone

Structural Information

Molecular Formula
C11H9NOS
SMILES
C1=CC(=CC(=C1)N)C(=O)C2=CC=CS2
InChI
InChI=1S/C11H9NOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H,12H2
InChIKey
NAOSAFFBRSHIPI-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.04048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 142.7
[M+Na]+ 226.02970 154.7
[M+NH4]+ 221.07430 152.3
[M+K]+ 242.00364 147.9
[M-H]- 202.03320 147.3
[M+Na-2H]- 224.01515 150.6
[M]+ 203.03993 146.1
[M]- 203.04103 146.1
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