CID 13574397

4-bromopent-2-yne

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 118.8
[M+Na]+ 168.96233 132.3
[M-H]- 144.96583 120.5
[M+NH4]+ 164.00693 141.2
[M+K]+ 184.93627 122.2
[M+H-H2O]+ 128.97037 114.2
[M+HCOO]- 190.97131 136.7
[M+CH3COO]- 204.98696 183.0
[M+Na-2H]- 166.94778 126.1
[M]+ 145.97256 130.1
[M]- 145.97366 130.1
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