CID 83231735

4-(3-bromo-4-fluorophenoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H7BrClFO3S
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)F)Br)S(=O)(=O)Cl
InChI
InChI=1S/C12H7BrClFO3S/c13-11-7-9(3-6-12(11)15)18-8-1-4-10(5-2-8)19(14,16)17/h1-7H
InChIKey
CBUZLPJAXVIPRU-UHFFFAOYSA-N
Compound name
4-(3-bromo-4-fluorophenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.8972 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.90448 157.6
[M+Na]+ 386.88642 172.4
[M-H]- 362.88992 166.8
[M+NH4]+ 381.93102 175.9
[M+K]+ 402.86036 158.6
[M+H-H2O]+ 346.89446 157.7
[M+HCOO]- 408.89540 169.6
[M+CH3COO]- 422.91105 203.5
[M+Na-2H]- 384.87187 163.4
[M]+ 363.89665 181.2
[M]- 363.89775 181.2
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.