CID 2736754

2369-29-1

Structural Information

Molecular Formula

C₆H₆F₂N₂

SMILES

C1=C(C=C(C(=C1N)N)F)F

InChI

InChI=1S/C6H6F2N2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,9-10H2

InChIKey

QGNXDMSEEPNKCF-UHFFFAOYSA-N

Compound name

3,5-difluorobenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 318
Patents: 144.04991 Da
Monoisotopic Mass: 0.8
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]+	145.05719	123.6
[M+Na]+	167.03913	133.5
[M-H]-	143.04263	124.8
[M+NH4]+	162.08373	144.6
[M+K]+	183.01307	130.7
[M+H-H2O]+	127.04717	116.6
[M+HCOO]-	189.04811	147.8
[M+CH3COO]-	203.06376	179.6
[M+Na-2H]-	165.02458	128.5
[M]+	144.04936	117.7
[M]-	144.05046	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe