CID 18354749

63345-34-6

Structural Information

Molecular Formula
C13H14ClNO4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCS(=O)(=O)Cl
InChI
InChI=1S/C13H14ClNO4S/c14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChIKey
VOYSCQYOHPWPEV-UHFFFAOYSA-N
Compound name
5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

315.0332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04048 169.2
[M+Na]+ 338.02242 179.8
[M-H]- 314.02592 173.0
[M+NH4]+ 333.06702 187.2
[M+K]+ 353.99636 174.4
[M+H-H2O]+ 298.03046 164.5
[M+HCOO]- 360.03140 180.7
[M+CH3COO]- 374.04705 200.0
[M+Na-2H]- 336.00787 170.8
[M]+ 315.03265 177.1
[M]- 315.03375 177.1
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