CID 82305399

5-bromo-2-methoxybenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H6BrFO3S
SMILES
COC1=C(C=C(C=C1)Br)S(=O)(=O)F
InChI
InChI=1S/C7H6BrFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKey
SQXFRZSRCGSBKW-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.9205 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92778 136.1
[M+Na]+ 290.90972 150.2
[M-H]- 266.91322 142.3
[M+NH4]+ 285.95432 157.3
[M+K]+ 306.88366 138.8
[M+H-H2O]+ 250.91776 136.2
[M+HCOO]- 312.91870 152.4
[M+CH3COO]- 326.93435 189.0
[M+Na-2H]- 288.89517 142.7
[M]+ 267.91995 157.9
[M]- 267.92105 157.9
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