CID 92131493

2-propoxy-4-(n-phthalimidinyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C17H14ClNO5S
SMILES
CCCOC1=C(C=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)Cl
InChI
InChI=1S/C17H14ClNO5S/c1-2-9-24-14-10-11(7-8-15(14)25(18,22)23)19-16(20)12-5-3-4-6-13(12)17(19)21/h3-8,10H,2,9H2,1H3
InChIKey
BFMSRWCVFIWETF-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)-2-propoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0281 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.03538 184.9
[M+Na]+ 402.01732 196.4
[M-H]- 378.02082 192.4
[M+NH4]+ 397.06192 200.1
[M+K]+ 417.99126 190.7
[M+H-H2O]+ 362.02536 179.0
[M+HCOO]- 424.02630 196.6
[M+CH3COO]- 438.04195 212.5
[M+Na-2H]- 400.00277 185.9
[M]+ 379.02755 194.0
[M]- 379.02865 194.0
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.