CID 14664712

1-bromobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C5H7Br
SMILES
C1C2CC1(C2)Br
InChI
InChI=1S/C5H7Br/c6-5-1-4(2-5)3-5/h4H,1-3H2
InChIKey
XFXJTOJDGTYWDX-UHFFFAOYSA-N
Compound name
1-bromobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

145.97311 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98039 115.6
[M+Na]+ 168.96233 123.8
[M-H]- 144.96583 121.5
[M+NH4]+ 164.00693 125.3
[M+K]+ 184.93627 123.3
[M+H-H2O]+ 128.97037 108.9
[M+HCOO]- 190.97131 129.4
[M+CH3COO]- 204.98696 203.1
[M+Na-2H]- 166.94778 126.8
[M]+ 145.97256 151.8
[M]- 145.97366 151.8
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