CID 71756188

6-methanesulfonyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)OCCN2
InChI
InChI=1S/C9H11NO3S/c1-14(11,12)7-2-3-9-8(6-7)10-4-5-13-9/h2-3,6,10H,4-5H2,1H3
InChIKey
QHVACRHIDUXKNT-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.04596 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.053236 141.2
[M+Na]+ 236.035178 149.6
[M-H]- 212.038684 143.7
[M+NH4]+ 231.079783 158.2
[M+K]+ 252.009118 147.2
[M+H-H2O]+ 196.043220 135.6
[M+HCOO]- 258.044161 153.6
[M+CH3COO]- 272.059811 179.5
[M+Na-2H]- 234.020626 148.3
[M]+ 213.04541142 141.4
[M]- 213.04650858 141.4
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

patents stripe