CID 22760684

2-chloro-5-propanoylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CCC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C9H10ClNO3S/c1-2-8(12)6-3-4-7(10)9(5-6)15(11,13)14/h3-5H,2H2,1H3,(H2,11,13,14)
InChIKey
HNQOOWCYCALODH-UHFFFAOYSA-N
Compound name
2-chloro-5-propanoylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

247.00699 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01427 148.3
[M+Na]+ 269.99621 157.9
[M-H]- 245.99971 152.4
[M+NH4]+ 265.04081 166.7
[M+K]+ 285.97015 153.3
[M+H-H2O]+ 230.00425 143.9
[M+HCOO]- 292.00519 162.0
[M+CH3COO]- 306.02084 190.2
[M+Na-2H]- 267.98166 150.6
[M]+ 247.00644 152.3
[M]- 247.00754 152.3
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