CID 12389913

(3,4-dibromophenyl)methanamine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
C1=CC(=C(C=C1CN)Br)Br
InChI
InChI=1S/C7H7Br2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey
UXMFUBINPABFSZ-UHFFFAOYSA-N
Compound name
(3,4-dibromophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.89453 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90181 143.4
[M+Na]+ 285.88375 138.8
[M+NH4]+ 280.92835 145.9
[M+K]+ 301.85769 144.8
[M-H]- 261.88725 144.9
[M+Na-2H]- 283.86920 145.5
[M]+ 262.89398 142.1
[M]- 262.89508 142.1
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

patents stripe