CID 83485912

1-bromo-2-(2-isocyanoethyl)benzene

Structural Information

Molecular Formula
C9H8BrN
SMILES
[C-]#[N+]CCC1=CC=CC=C1Br
InChI
InChI=1S/C9H8BrN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2
InChIKey
HJMOZCKZJGLQEV-UHFFFAOYSA-N
Compound name
1-bromo-2-(2-isocyanoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.991286 141.6
[M+Na]+ 231.973228 154.9
[M-H]- 207.976734 145.1
[M+NH4]+ 227.017833 161.2
[M+K]+ 247.947168 138.5
[M+H-H2O]+ 191.981270 139.6
[M+HCOO]- 253.982211 161.5
[M+CH3COO]- 267.997861 188.1
[M+Na-2H]- 229.958676 149.8
[M]+ 208.98346142 151.4
[M]- 208.98455858 151.4
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

No patent data available for this compound.