CID 12476205

5-bromopent-2-yne

Structural Information

Molecular Formula
C5H7Br
SMILES
CC#CCCBr
InChI
InChI=1S/C5H7Br/c1-2-3-4-5-6/h4-5H2,1H3
InChIKey
XXTLMXOGRBXMQF-UHFFFAOYSA-N
Compound name
5-bromopent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

542
Patents

145.97311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98039 117.2
[M+Na]+ 168.96233 131.0
[M-H]- 144.96583 118.9
[M+NH4]+ 164.00693 139.8
[M+K]+ 184.93627 120.6
[M+H-H2O]+ 128.97037 112.8
[M+HCOO]- 190.97131 136.0
[M+CH3COO]- 204.98696 182.3
[M+Na-2H]- 166.94778 125.8
[M]+ 145.97256 129.2
[M]- 145.97366 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe