CID 16095019

927869-56-5

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1CC2=C(C=CC(=C2)S(=O)(=O)Cl)NC(=O)C1
InChI
InChI=1S/C10H10ClNO3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)
InChIKey
QCHLNSXHASMIBN-UHFFFAOYSA-N
Compound name
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

259.007 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 150.0
[M+Na]+ 281.99622 157.9
[M-H]- 257.99972 153.0
[M+NH4]+ 277.04082 166.2
[M+K]+ 297.97016 157.6
[M+H-H2O]+ 242.00426 145.3
[M+HCOO]- 304.00520 158.4
[M+CH3COO]- 318.02085 188.0
[M+Na-2H]- 279.98167 154.2
[M]+ 259.00645 148.2
[M]- 259.00755 148.2
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