CID 17752268

1-(4-bromophenyl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C9H8BrN
SMILES
C#CC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C9H8BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9H,11H2
InChIKey
ZSWRRJTWKKLTOP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

208.98401 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 138.5
[M+Na]+ 231.97323 151.5
[M-H]- 207.97673 141.6
[M+NH4]+ 227.01783 157.9
[M+K]+ 247.94717 138.9
[M+H-H2O]+ 191.98127 132.3
[M+HCOO]- 253.98221 156.6
[M+CH3COO]- 267.99786 193.7
[M+Na-2H]- 229.95868 143.8
[M]+ 208.98346 147.6
[M]- 208.98456 147.6
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

patents stripe