CID 63794962

(2,5-dibromophenyl)methanamine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
C1=CC(=C(C=C1Br)CN)Br
InChI
InChI=1S/C7H7Br2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
HUNQPBCFWHODKV-UHFFFAOYSA-N
Compound name
(2,5-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 135.0
[M+Na]+ 285.88375 146.0
[M-H]- 261.88725 141.5
[M+NH4]+ 280.92835 154.9
[M+K]+ 301.85769 129.9
[M+H-H2O]+ 245.89179 142.5
[M+HCOO]- 307.89273 152.1
[M+CH3COO]- 321.90838 200.2
[M+Na-2H]- 283.86920 142.4
[M]+ 262.89398 167.2
[M]- 262.89508 167.2
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