CID 44720397

1-(bromomethyl)bicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC2(CC1C2)CBr
InChI
InChI=1S/C7H11Br/c8-5-7-2-1-6(3-7)4-7/h6H,1-5H2
InChIKey
FUUAMGKQLCKIMV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)bicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 134.5
[M+Na]+ 196.99363 145.2
[M-H]- 172.99713 139.1
[M+NH4]+ 192.03823 160.9
[M+K]+ 212.96757 138.2
[M+H-H2O]+ 157.00167 134.5
[M+HCOO]- 219.00261 152.0
[M+CH3COO]- 233.01826 150.0
[M+Na-2H]- 194.97908 144.3
[M]+ 174.00386 162.9
[M]- 174.00496 162.9
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

No patent data available for this compound.