CID 53397235

1265895-10-0

Structural Information

Molecular Formula
C6H6Br2N2
SMILES
C1=C(C(=C(C=N1)Br)CN)Br
InChI
InChI=1S/C6H6Br2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H,1,9H2
InChIKey
DXYIPLPXKPOBID-UHFFFAOYSA-N
Compound name
(3,5-dibromo-4-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.88977 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.897046 131.4
[M+Na]+ 286.878988 142.7
[M-H]- 262.882494 137.0
[M+NH4]+ 281.923593 150.3
[M+K]+ 302.852928 126.8
[M+H-H2O]+ 246.887030 138.6
[M+HCOO]- 308.887971 148.0
[M+CH3COO]- 322.903621 199.9
[M+Na-2H]- 284.864436 139.6
[M]+ 263.88922142 163.9
[M]- 263.89031858 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.