CID 43165341

1094543-97-1

Structural Information

Molecular Formula
C10H9Cl2NO3S
SMILES
C1CC2=CC(=C(C=C2NC(=O)C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C10H9Cl2NO3S/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
IDHPASOHURRULY-UHFFFAOYSA-N
Compound name
7-chloro-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

292.96802 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97530 154.5
[M+Na]+ 315.95724 164.0
[M-H]- 291.96074 157.2
[M+NH4]+ 311.00184 170.3
[M+K]+ 331.93118 163.1
[M+H-H2O]+ 275.96528 150.1
[M+HCOO]- 337.96622 158.3
[M+CH3COO]- 351.98187 193.5
[M+Na-2H]- 313.94269 157.7
[M]+ 292.96747 153.9
[M]- 292.96857 153.9
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

No patent data available for this compound.