CID 15324183

N-(4-bromobutyl)benzamide

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1=CC=C(C=C1)C(=O)NCCCCBr
InChI
InChI=1S/C11H14BrNO/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChIKey
OHRZVSHRZJRVQG-UHFFFAOYSA-N
Compound name
N-(4-bromobutyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.7
[M+Na]+ 278.01510 159.5
[M-H]- 254.01860 156.2
[M+NH4]+ 273.05970 170.8
[M+K]+ 293.98904 148.1
[M+H-H2O]+ 238.02314 149.7
[M+HCOO]- 300.02408 172.3
[M+CH3COO]- 314.03973 193.3
[M+Na-2H]- 276.00055 157.6
[M]+ 255.02533 169.0
[M]- 255.02643 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.