CID 138989258

2137912-30-0

Structural Information

Molecular Formula
C7H5BrF2O3S
SMILES
COC1=C(C=C(C=C1S(=O)(=O)F)Br)F
InChI
InChI=1S/C7H5BrF2O3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3
InChIKey
ITPKAIPECFHXPH-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-2-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.91107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.91835 138.8
[M+Na]+ 308.90029 153.6
[M-H]- 284.90379 143.9
[M+NH4]+ 303.94489 159.4
[M+K]+ 324.87423 141.8
[M+H-H2O]+ 268.90833 138.0
[M+HCOO]- 330.90927 154.0
[M+CH3COO]- 344.92492 192.7
[M+Na-2H]- 306.88574 144.2
[M]+ 285.91052 159.8
[M]- 285.91162 159.8
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

No patent data available for this compound.