CID 3038270

23611-64-5

Structural Information

Molecular Formula
C9H7NO2S
SMILES
CC1=CC2=C(C=C1)OC(=S)NC2=O
InChI
InChI=1S/C9H7NO2S/c1-5-2-3-7-6(4-5)8(11)10-9(13)12-7/h2-4H,1H3,(H,10,11,13)
InChIKey
KTPCWQGTXJDOJV-UHFFFAOYSA-N
Compound name
6-methyl-2-sulfanylidene-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.01974 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 136.5
[M+Na]+ 216.00896 151.8
[M+NH4]+ 211.05356 145.4
[M+K]+ 231.98290 143.3
[M-H]- 192.01246 139.9
[M+Na-2H]- 213.99441 142.6
[M]+ 193.01919 140.2
[M]- 193.02029 140.2
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.