CID 367110

Nsc636488

Structural Information

Molecular Formula
C12H9NOS2
SMILES
C1=CC=C(C(=C1)N=CC(=O)C2=CC=CS2)S
InChI
InChI=1S/C12H9NOS2/c14-10(12-6-3-7-16-12)8-13-9-4-1-2-5-11(9)15/h1-8,15H
InChIKey
XVNLYIOBNXOACQ-UHFFFAOYSA-N
Compound name
2-(2-sulfanylphenyl)imino-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01984 153.5
[M+Na]+ 270.00178 162.7
[M-H]- 246.00528 162.0
[M+NH4]+ 265.04638 173.8
[M+K]+ 285.97572 157.9
[M+H-H2O]+ 230.00982 147.1
[M+HCOO]- 292.01076 170.6
[M+CH3COO]- 306.02641 193.4
[M+Na-2H]- 267.98723 154.0
[M]+ 247.01201 156.9
[M]- 247.01311 156.9
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.