CID 76987

Einecs 222-370-4

Structural Information

Molecular Formula
C13H11NOS
SMILES
C1=CC=C(C(=C1)C(=N)C2=CC=CC=C2S)O
InChI
InChI=1S/C13H11NOS/c14-13(9-5-1-3-7-11(9)15)10-6-2-4-8-12(10)16/h1-8,14-16H
InChIKey
KIFGCWWSXJRZRU-UHFFFAOYSA-N
Compound name
2-(2-sulfanylbenzenecarboximidoyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06342 148.0
[M+Na]+ 252.04536 155.9
[M-H]- 228.04886 154.0
[M+NH4]+ 247.08996 165.7
[M+K]+ 268.01930 150.6
[M+H-H2O]+ 212.05340 141.4
[M+HCOO]- 274.05434 166.5
[M+CH3COO]- 288.06999 189.4
[M+Na-2H]- 250.03081 151.2
[M]+ 229.05559 147.4
[M]- 229.05669 147.4
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.