CID 644720

21582-44-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

13
References

154
Patents

203.04048 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe