CID 282749

3-chloro-4-acetamidobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7Cl2NO3S
SMILES
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
InChIKey
ALOQYFFSHSEVJH-UHFFFAOYSA-N
Compound name
4-acetamido-3-chlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

266.95236 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.95964 149.0
[M+Na]+ 289.94158 159.3
[M-H]- 265.94508 153.4
[M+NH4]+ 284.98618 167.4
[M+K]+ 305.91552 154.1
[M+H-H2O]+ 249.94962 145.8
[M+HCOO]- 311.95056 158.7
[M+CH3COO]- 325.96621 191.8
[M+Na-2H]- 287.92703 152.2
[M]+ 266.95181 154.6
[M]- 266.95291 154.6
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