CID 2756834

4-(2-bromoacetyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C8H6BrClO3S
SMILES
C1=CC(=CC=C1C(=O)CBr)S(=O)(=O)Cl
InChI
InChI=1S/C8H6BrClO3S/c9-5-8(11)6-1-3-7(4-2-6)14(10,12)13/h1-4H,5H2
InChIKey
YSZVEXHEBFFCSK-UHFFFAOYSA-N
Compound name
4-(2-bromoacetyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

295.89096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.89824 141.1
[M+Na]+ 318.88018 154.9
[M-H]- 294.88368 148.4
[M+NH4]+ 313.92478 161.8
[M+K]+ 334.85412 141.8
[M+H-H2O]+ 278.88822 142.9
[M+HCOO]- 340.88916 153.1
[M+CH3COO]- 354.90481 191.6
[M+Na-2H]- 316.86563 147.3
[M]+ 295.89041 164.5
[M]- 295.89151 164.5
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