CID 118714

34684-43-0

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C10H12ClNO3S/c1-6-4-7(2)10(16(11,14)15)5-9(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
InChIKey
CRQMIQVYEFNWRZ-UHFFFAOYSA-N
Compound name
5-acetamido-2,4-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

261.02264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.029916 151.7
[M+Na]+ 284.011858 161.8
[M-H]- 260.015364 156.5
[M+NH4]+ 279.056463 170.2
[M+K]+ 299.985798 157.4
[M+H-H2O]+ 244.019900 147.3
[M+HCOO]- 306.020841 165.7
[M+CH3COO]- 320.036491 194.4
[M+Na-2H]- 281.997306 154.0
[M]+ 261.02209142 157.4
[M]- 261.02318858 157.4
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