CID 2063641

6-chloro-2-imino-2h-chromene-3-carbothioamide

Structural Information

Molecular Formula
C10H7ClN2OS
SMILES
C1=CC2=C(C=C1Cl)C=C(C(=N)O2)C(=S)N
InChI
InChI=1S/C10H7ClN2OS/c11-6-1-2-8-5(3-6)4-7(10(13)15)9(12)14-8/h1-4,12H,(H2,13,15)
InChIKey
AYZRHCNYWBHHLJ-UHFFFAOYSA-N
Compound name
6-chloro-2-iminochromene-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.99677 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00405 147.8
[M+Na]+ 260.98599 161.6
[M+NH4]+ 256.03059 157.2
[M+K]+ 276.95993 152.8
[M-H]- 236.98949 153.1
[M+Na-2H]- 258.97144 153.9
[M]+ 237.99622 152.0
[M]- 237.99732 152.0
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.