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 134.0
[M+Na]+ 216.00896 146.1
[M-H]- 192.01246 137.9
[M+NH4]+ 211.05356 152.6
[M+K]+ 231.98290 142.3
[M+H-H2O]+ 176.01700 128.4
[M+HCOO]- 238.01794 150.6
[M+CH3COO]- 252.03359 148.2
[M+Na-2H]- 213.99441 140.6
[M]+ 193.01919 136.9
[M]- 193.02029 136.9
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.