CID 107275093

Ufh

Structural Information

Molecular Formula
C10H10BrN3
SMILES
C1=CC(=C(C=C1N2C=CN=C2)Br)CN
InChI
InChI=1S/C10H10BrN3/c11-10-5-9(2-1-8(10)6-12)14-4-3-13-7-14/h1-5,7H,6,12H2
InChIKey
SUCTXLUAHUVMQP-UHFFFAOYSA-N
Compound name
(2-bromo-4-imidazol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.00581 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01309 146.5
[M+Na]+ 273.99503 158.8
[M-H]- 249.99853 153.2
[M+NH4]+ 269.03963 166.1
[M+K]+ 289.96897 146.7
[M+H-H2O]+ 234.00307 144.7
[M+HCOO]- 296.00401 168.4
[M+CH3COO]- 310.01966 161.3
[M+Na-2H]- 271.98048 153.1
[M]+ 251.00526 163.8
[M]- 251.00636 163.8
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.