CID 106430

68039-14-5

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)Cl)OC)NC(=O)C
InChI
InChI=1S/C10H12ClNO4S/c1-6-4-8(12-7(2)13)9(16-3)5-10(6)17(11,14)15/h4-5H,1-3H3,(H,12,13)
InChIKey
XWRBAVORXAXIRN-UHFFFAOYSA-N
Compound name
4-acetamido-5-methoxy-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.01755 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 154.6
[M+Na]+ 300.00677 164.5
[M-H]- 276.01027 159.4
[M+NH4]+ 295.05137 172.4
[M+K]+ 315.98071 160.7
[M+H-H2O]+ 260.01481 150.1
[M+HCOO]- 322.01575 168.8
[M+CH3COO]- 336.03140 196.6
[M+Na-2H]- 297.99222 157.2
[M]+ 277.01700 161.8
[M]- 277.01810 161.8
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