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 146.8
[M+Na]+ 260.98599 157.5
[M-H]- 236.98949 152.5
[M+NH4]+ 256.03059 165.4
[M+K]+ 276.95993 152.2
[M+H-H2O]+ 220.99403 142.1
[M+HCOO]- 282.99497 161.2
[M+CH3COO]- 297.01062 160.0
[M+Na-2H]- 258.97144 151.7
[M]+ 237.99622 149.0
[M]- 237.99732 149.0
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.