CID 115824459

7-bromo-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepine-8-sulfonyl chloride

Structural Information

Molecular Formula
C10H9BrClNO3S
SMILES
C1CC2=CC(=C(C=C2NC(=O)C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C10H9BrClNO3S/c11-7-4-6-2-1-3-10(14)13-8(6)5-9(7)17(12,15)16/h4-5H,1-3H2,(H,13,14)
InChIKey
YSSCRYLPRSYYND-UHFFFAOYSA-N
Compound name
7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9175 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.92478 150.4
[M+Na]+ 359.90672 162.3
[M-H]- 335.91022 156.3
[M+NH4]+ 354.95132 167.8
[M+K]+ 375.88066 153.8
[M+H-H2O]+ 319.91476 151.8
[M+HCOO]- 381.91570 157.4
[M+CH3COO]- 395.93135 198.2
[M+Na-2H]- 357.89217 156.1
[M]+ 336.91695 166.7
[M]- 336.91805 166.7
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.