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]+ 214.05324 141.2
[M+Na]+ 236.03518 149.6
[M-H]- 212.03868 143.7
[M+NH4]+ 231.07978 158.2
[M+K]+ 252.00912 147.2
[M+H-H2O]+ 196.04322 135.6
[M+HCOO]- 258.04416 153.6
[M+CH3COO]- 272.05981 179.5
[M+Na-2H]- 234.02063 148.3
[M]+ 213.04541 141.4
[M]- 213.04651 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