CID 3739797

1177361-07-7

Structural Information

Molecular Formula

C₆H₆BrClN₂

SMILES

C1=CC(=C(C=C1NN)Cl)Br

InChI

InChI=1S/C6H6BrClN2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2

InChIKey

FLCMLLKTXYVUAM-UHFFFAOYSA-N

Compound name

(4-bromo-3-chlorophenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 219.94029 Da
Monoisotopic Mass: 2.5
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]+	220.94757	135.0
[M+Na]+	242.92951	147.7
[M-H]-	218.93301	141.1
[M+NH4]+	237.97411	157.2
[M+K]+	258.90345	134.2
[M+H-H2O]+	202.93755	135.3
[M+HCOO]-	264.93849	154.6
[M+CH3COO]-	278.95414	187.6
[M+Na-2H]-	240.91496	143.2
[M]+	219.93974	152.4
[M]-	219.94084	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe