CID 112845

62476-15-7

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CCNC1=C(C=C(C=C1)Cl)N

InChI

InChI=1S/C8H11ClN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3

InChIKey

BYXHQRLOVDLFCT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 170.06108 Da
Monoisotopic Mass: 2.2
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]+	171.068356	134.7
[M+Na]+	193.050298	143.5
[M-H]-	169.053804	138.2
[M+NH4]+	188.094903	155.6
[M+K]+	209.024238	139.3
[M+H-H2O]+	153.058340	129.9
[M+HCOO]-	215.059281	156.4
[M+CH3COO]-	229.074931	183.5
[M+Na-2H]-	191.035746	140.9
[M]+	170.06053142	134.4
[M]-	170.06162858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe