CID 11816737

334829-62-8

Structural Information

Molecular Formula

C₈H₁₁BrN₂

SMILES

CCNC1=C(C=C(C=C1)Br)N

InChI

InChI=1S/C8H11BrN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3

InChIKey

FIHMWZLZKMUGJO-UHFFFAOYSA-N

Compound name

4-bromo-1-N-ethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 214.01056 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.01784	138.2
[M+Na]+	236.99978	149.0
[M-H]-	213.00328	144.1
[M+NH4]+	232.04438	159.8
[M+K]+	252.97372	137.2
[M+H-H2O]+	197.00782	137.2
[M+HCOO]-	259.00876	161.5
[M+CH3COO]-	273.02441	189.7
[M+Na-2H]-	234.98523	145.7
[M]+	214.01001	154.3
[M]-	214.01111	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe