CID 3781579

28073-51-0

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)
InChIKey
WRGHKTBZVWARIA-UHFFFAOYSA-N
Compound name
4-(acetamidomethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

247.00699 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01427 148.7
[M+Na]+ 269.99621 157.6
[M-H]- 245.99971 153.0
[M+NH4]+ 265.04081 167.2
[M+K]+ 285.97015 153.3
[M+H-H2O]+ 230.00425 144.0
[M+HCOO]- 292.00519 163.1
[M+CH3COO]- 306.02084 189.0
[M+Na-2H]- 267.98166 152.7
[M]+ 247.00644 153.3
[M]- 247.00754 153.3
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