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]+ 256.033156 150.7
[M+Na]+ 278.015098 159.5
[M-H]- 254.018604 156.2
[M+NH4]+ 273.059703 170.8
[M+K]+ 293.989038 148.1
[M+H-H2O]+ 238.023140 149.7
[M+HCOO]- 300.024081 172.3
[M+CH3COO]- 314.039731 193.3
[M+Na-2H]- 276.000546 157.6
[M]+ 255.02533142 169.0
[M]- 255.02642858 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.