CID 11142206

1-butanesulfonamide, n-[4-(2-bromoacetyl)phenyl]-

Structural Information

Molecular Formula
C12H16BrNO3S
SMILES
CCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)CBr
InChI
InChI=1S/C12H16BrNO3S/c1-2-3-8-18(16,17)14-11-6-4-10(5-7-11)12(15)9-13/h4-7,14H,2-3,8-9H2,1H3
InChIKey
VPACVIVSYKSBPO-UHFFFAOYSA-N
Compound name
N-[4-(2-bromoacetyl)phenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

333.00342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.01070 158.4
[M+Na]+ 355.99264 168.5
[M-H]- 331.99614 164.3
[M+NH4]+ 351.03724 176.2
[M+K]+ 371.96658 155.8
[M+H-H2O]+ 316.00068 157.4
[M+HCOO]- 378.00162 174.0
[M+CH3COO]- 392.01727 203.9
[M+Na-2H]- 353.97809 163.1
[M]+ 333.00287 180.4
[M]- 333.00397 180.4
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