CID 145913467

2377035-48-6

Structural Information

Molecular Formula
C7H2BrClF4O2S
SMILES
C1=C(C=C(C(=C1F)S(=O)(=O)Cl)Br)C(F)(F)F
InChI
InChI=1S/C7H2BrClF4O2S/c8-4-1-3(7(11,12)13)2-5(10)6(4)16(9,14)15/h1-2H
InChIKey
VOIOGIUZHWFGAY-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoro-4-(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.85834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.86562 147.8
[M+Na]+ 362.84756 164.0
[M-H]- 338.85106 150.7
[M+NH4]+ 357.89216 167.2
[M+K]+ 378.82150 149.6
[M+H-H2O]+ 322.85560 146.7
[M+HCOO]- 384.85654 155.2
[M+CH3COO]- 398.87219 199.3
[M+Na-2H]- 360.83301 152.4
[M]+ 339.85779 166.2
[M]- 339.85889 166.2
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.