CID 77351

3746-67-6

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H10ClNO4S/c1-6(12)11-8-5-7(16(10,13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)
InChIKey
KRKMAUKQDRAOFI-UHFFFAOYSA-N
Compound name
3-acetamido-4-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

92
Patents

263.0019 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00918 150.9
[M+Na]+ 285.99112 160.3
[M-H]- 261.99462 155.5
[M+NH4]+ 281.03572 168.9
[M+K]+ 301.96506 156.7
[M+H-H2O]+ 245.99916 146.2
[M+HCOO]- 308.00010 165.4
[M+CH3COO]- 322.01575 192.3
[M+Na-2H]- 283.97657 154.5
[M]+ 263.00135 157.3
[M]- 263.00245 157.3
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