CID 67426157

852526-08-0

Structural Information

Molecular Formula
C6H7Br
SMILES
C1CC1C#CCBr
InChI
InChI=1S/C6H7Br/c7-5-1-2-6-3-4-6/h6H,3-5H2
InChIKey
SZPRIMCABZIBGR-UHFFFAOYSA-N
Compound name
3-bromoprop-1-ynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

157.97311 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.98039 123.6
[M+Na]+ 180.96233 142.7
[M-H]- 156.96583 130.4
[M+NH4]+ 176.00693 143.2
[M+K]+ 196.93627 128.9
[M+H-H2O]+ 140.97037 120.3
[M+HCOO]- 202.97131 144.1
[M+CH3COO]- 216.98696 186.1
[M+Na-2H]- 178.94778 133.2
[M]+ 157.97256 137.8
[M]- 157.97366 137.8
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