CID 22678289

Schembl890737

Structural Information

Molecular Formula
C7H7BrOS
SMILES
COC1=CC=CC=C1SBr
InChI
InChI=1S/C7H7BrOS/c1-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3
InChIKey
WUKFVPJVGIPEPL-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) thiohypobromite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

217.9401 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.947376 127.3
[M+Na]+ 240.929318 140.3
[M-H]- 216.932824 134.4
[M+NH4]+ 235.973923 150.5
[M+K]+ 256.903258 129.3
[M+H-H2O]+ 200.937360 128.3
[M+HCOO]- 262.938301 145.5
[M+CH3COO]- 276.953951 182.9
[M+Na-2H]- 238.914766 134.5
[M]+ 217.93955142 149.0
[M]- 217.94064858 149.0
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