CID 51000084

3-bromo-5-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H6BrClO3S
SMILES
COC1=CC(=CC(=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H6BrClO3S/c1-12-6-2-5(8)3-7(4-6)13(9,10)11/h2-4H,1H3
InChIKey
NTCPGLAJHCYHGG-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

283.89096 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.89824 137.1
[M+Na]+ 306.88018 152.2
[M-H]- 282.88368 144.8
[M+NH4]+ 301.92478 158.8
[M+K]+ 322.85412 139.5
[M+H-H2O]+ 266.88822 139.2
[M+HCOO]- 328.88916 150.2
[M+CH3COO]- 342.90481 190.0
[M+Na-2H]- 304.86563 144.3
[M]+ 283.89041 161.8
[M]- 283.89151 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