CID 149699841

3-bromo-5-chloro-2-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2BrCl2FO2S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)Cl)F)Br)Cl
InChI
InChI=1S/C6H2BrCl2FO2S/c7-4-1-3(8)2-5(6(4)10)13(9,11)12/h1-2H
InChIKey
ASWUJGMQPCYBTD-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.832 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.83928 136.3
[M+Na]+ 328.82122 153.1
[M-H]- 304.82472 142.8
[M+NH4]+ 323.86582 157.8
[M+K]+ 344.79516 138.5
[M+H-H2O]+ 288.82926 138.8
[M+HCOO]- 350.83020 143.8
[M+CH3COO]- 364.84585 193.3
[M+Na-2H]- 326.80667 142.2
[M]+ 305.83145 159.2
[M]- 305.83255 159.2
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

No patent data available for this compound.