CID 10684044

Propan-2-yl 2-bromobenzene-1-sulfonate

Structural Information

Molecular Formula
C9H11BrO3S
SMILES
CC(C)OS(=O)(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C9H11BrO3S/c1-7(2)13-14(11,12)9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKey
AISPPKSSOLMHOC-UHFFFAOYSA-N
Compound name
propan-2-yl 2-bromobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.96124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96852 142.5
[M+Na]+ 300.95046 154.7
[M-H]- 276.95396 149.4
[M+NH4]+ 295.99506 163.1
[M+K]+ 316.92440 143.8
[M+H-H2O]+ 260.95850 143.1
[M+HCOO]- 322.95944 158.3
[M+CH3COO]- 336.97509 191.8
[M+Na-2H]- 298.93591 148.4
[M]+ 277.96069 165.2
[M]- 277.96179 165.2
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

patents stripe