CID 2734409

4-(bromomethyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C7H6BrClO2S
SMILES
C1=CC(=CC=C1CBr)S(=O)(=O)Cl
InChI
InChI=1S/C7H6BrClO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
InChIKey
QXTQWYZHHMQSQH-UHFFFAOYSA-N
Compound name
4-(bromomethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

820
Patents

267.89603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.903306 135.2
[M+Na]+ 290.885248 149.8
[M-H]- 266.888754 142.7
[M+NH4]+ 285.929853 157.3
[M+K]+ 306.859188 136.5
[M+H-H2O]+ 250.893290 137.4
[M+HCOO]- 312.894231 148.2
[M+CH3COO]- 326.909881 187.1
[M+Na-2H]- 288.870696 142.8
[M]+ 267.89548142 158.2
[M]- 267.89657858 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe