CID 50998018

2-bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H3BrClF3O3S
SMILES
C1=CC(=C(C=C1OC(F)(F)F)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H3BrClF3O3S/c8-5-3-4(15-7(10,11)12)1-2-6(5)16(9,13)14/h1-3H
InChIKey
VWWRUCDVDGRSNG-UHFFFAOYSA-N
Compound name
2-bromo-4-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

337.8627 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.86998 157.1
[M+Na]+ 360.85192 158.2
[M+NH4]+ 355.89652 159.3
[M+K]+ 376.82586 158.0
[M-H]- 336.85542 152.3
[M+Na-2H]- 358.83737 157.9
[M]+ 337.86215 155.3
[M]- 337.86325 155.3
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