CID 119084907

6-bromopyridin-3-yl methanesulfonate

Structural Information

Molecular Formula
C6H6BrNO3S
SMILES
CS(=O)(=O)OC1=CN=C(C=C1)Br
InChI
InChI=1S/C6H6BrNO3S/c1-12(9,10)11-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey
CCFIMDAYHWFHHA-UHFFFAOYSA-N
Compound name
(6-bromopyridin-3-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.92519 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.93247 131.7
[M+Na]+ 273.91441 145.6
[M-H]- 249.91791 137.8
[M+NH4]+ 268.95901 152.2
[M+K]+ 289.88835 134.7
[M+H-H2O]+ 233.92245 132.3
[M+HCOO]- 295.92339 148.3
[M+CH3COO]- 309.93904 185.0
[M+Na-2H]- 271.89986 140.2
[M]+ 250.92464 154.5
[M]- 250.92574 154.5
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