CID 13574397

2-pentyne, 4-bromo-

Structural Information

Molecular Formula
C5H7Br
SMILES
CC#CC(C)Br
InChI
InChI=1S/C5H7Br/c1-3-4-5(2)6/h5H,1-2H3
InChIKey
OKQTYALBFDHRAM-UHFFFAOYSA-N
Compound name
4-bromopent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

145.97311 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98039 122.4
[M+Na]+ 168.96233 125.6
[M+NH4]+ 164.00693 125.0
[M+K]+ 184.93627 122.9
[M-H]- 144.96583 115.0
[M+Na-2H]- 166.94778 122.7
[M]+ 145.97256 119.0
[M]- 145.97366 119.0
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