CID 7131438

4-(2-bromoethoxy)-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H14BrNO3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C10H14BrNO3S/c1-12(2)16(13,14)10-5-3-9(4-6-10)15-8-7-11/h3-6H,7-8H2,1-2H3
InChIKey
IKIZPEDWXMNUTC-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9878 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99508 150.3
[M+Na]+ 329.97702 161.4
[M-H]- 305.98052 158.0
[M+NH4]+ 325.02162 169.9
[M+K]+ 345.95096 150.7
[M+H-H2O]+ 289.98506 149.4
[M+HCOO]- 351.98600 167.8
[M+CH3COO]- 366.00165 201.5
[M+Na-2H]- 327.96247 156.4
[M]+ 306.98725 174.1
[M]- 306.98835 174.1
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