CID 485499

Ac1lachn

Structural Information

Molecular Formula
C14H8ClNO2S
SMILES
C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=O
InChI
InChI=1S/C14H8ClNO2S/c15-9-6-7-12-11(8-9)13(19)16(14(17)18-12)10-4-2-1-3-5-10/h1-8H
InChIKey
SSWVFFWGYWFKKS-UHFFFAOYSA-N
Compound name
6-chloro-3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.99643 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00371 158.1
[M+Na]+ 311.98565 171.5
[M-H]- 287.98915 166.4
[M+NH4]+ 307.03025 174.2
[M+K]+ 327.95959 165.6
[M+H-H2O]+ 271.99369 151.4
[M+HCOO]- 333.99463 171.4
[M+CH3COO]- 348.01028 171.7
[M+Na-2H]- 309.97110 163.8
[M]+ 288.99588 164.4
[M]- 288.99698 164.4
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.