CID 2734082

2-amino-3,5-dibromobenzonitrile

Structural Information

Molecular Formula
C7H4Br2N2
SMILES
C1=C(C=C(C(=C1C#N)N)Br)Br
InChI
InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChIKey
WLZCMGXAEXFAQA-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

273.8741 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.881376 127.7
[M+Na]+ 296.863318 141.0
[M-H]- 272.866824 131.6
[M+NH4]+ 291.907923 145.2
[M+K]+ 312.837258 124.7
[M+H-H2O]+ 256.871360 128.6
[M+HCOO]- 318.872301 145.8
[M+CH3COO]- 332.887951 211.0
[M+Na-2H]- 294.848766 134.6
[M]+ 273.87355142 152.8
[M]- 273.87464858 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe