CID 18376540

2-acetyl-2,3-dihydro-1h-isoindole-5-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
CC(=O)N1CC2=C(C1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H10ClNO3S/c1-7(13)12-5-8-2-3-10(16(11,14)15)4-9(8)6-12/h2-4H,5-6H2,1H3
InChIKey
URRSOISMHKEOJC-UHFFFAOYSA-N
Compound name
2-acetyl-1,3-dihydroisoindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

259.007 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 154.1
[M+Na]+ 281.99622 165.5
[M+NH4]+ 277.04082 161.8
[M+K]+ 297.97016 160.1
[M-H]- 257.99972 153.8
[M+Na-2H]- 279.98167 157.5
[M]+ 259.00645 156.2
[M]- 259.00755 156.2
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