CID 85788112

Carboxin m8

Structural Information

Molecular Formula
C9H9NO2S
SMILES
CSC(=O)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H9NO2S/c1-13-9(12)8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11)
InChIKey
NHYMAYFUEPPSTD-UHFFFAOYSA-N
Compound name
S-methyl 2-anilino-2-oxoethanethioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

195.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 140.7
[M+Na]+ 218.02462 147.5
[M-H]- 194.02812 144.5
[M+NH4]+ 213.06922 160.2
[M+K]+ 233.99856 145.2
[M+H-H2O]+ 178.03266 134.5
[M+HCOO]- 240.03360 159.7
[M+CH3COO]- 254.04925 181.9
[M+Na-2H]- 216.01007 143.7
[M]+ 195.03485 141.9
[M]- 195.03595 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.