CID 2776403

368869-93-6

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CN1CCOC2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO3S/c1-11-4-5-14-9-6-7(15(10,12)13)2-3-8(9)11/h2-3,6H,4-5H2,1H3
InChIKey
PQOZDBIEDQALFA-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

247.00699 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.014266 146.6
[M+Na]+ 269.996208 156.8
[M-H]- 245.999714 150.9
[M+NH4]+ 265.040813 164.1
[M+K]+ 285.970148 154.0
[M+H-H2O]+ 230.004250 141.7
[M+HCOO]- 292.005191 155.9
[M+CH3COO]- 306.020841 187.0
[M+Na-2H]- 267.981656 153.1
[M]+ 247.00644142 150.9
[M]- 247.00753858 150.9
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

patents stripe