CID 155943648

2-bromo-4-ethynylaniline

Structural Information

Molecular Formula
C8H6BrN
SMILES
C#CC1=CC(=C(C=C1)N)Br
InChI
InChI=1S/C8H6BrN/c1-2-6-3-4-8(10)7(9)5-6/h1,3-5H,10H2
InChIKey
ZCPDFDAOJIJTIC-UHFFFAOYSA-N
Compound name
2-bromo-4-ethynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.96835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.97563 134.2
[M+Na]+ 217.95757 138.6
[M+NH4]+ 213.00217 136.9
[M+K]+ 233.93151 135.1
[M-H]- 193.96107 128.9
[M+Na-2H]- 215.94302 136.1
[M]+ 194.96780 131.6
[M]- 194.96890 131.6
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.