CID 75480847

2,3-dihydro-1-benzoxepine-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClO3S
SMILES
C1COC2=CC=CC=C2C=C1S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO3S/c11-15(12,13)9-5-6-14-10-4-2-1-3-8(10)7-9/h1-4,7H,5-6H2
InChIKey
SIQCEPFBSLNZHE-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzoxepine-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9961 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.00338 144.7
[M+Na]+ 266.98532 153.1
[M-H]- 242.98882 151.2
[M+NH4]+ 262.02992 162.3
[M+K]+ 282.95926 154.8
[M+H-H2O]+ 226.99336 141.1
[M+HCOO]- 288.99430 156.3
[M+CH3COO]- 303.00995 187.3
[M+Na-2H]- 264.97077 151.6
[M]+ 243.99555 146.3
[M]- 243.99665 146.3
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.