CID 565359

7-bromobicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC2CCC1C2Br
InChI
InChI=1S/C7H11Br/c8-7-5-1-2-6(7)4-3-5/h5-7H,1-4H2
InChIKey
WHGPQZJYJWIBGZ-UHFFFAOYSA-N
Compound name
7-bromobicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 139.0
[M+Na]+ 196.99363 150.5
[M-H]- 172.99713 144.7
[M+NH4]+ 192.03823 167.8
[M+K]+ 212.96757 140.7
[M+H-H2O]+ 157.00167 141.0
[M+HCOO]- 219.00261 158.7
[M+CH3COO]- 233.01826 154.8
[M+Na-2H]- 194.97908 144.3
[M]+ 174.00386 154.9
[M]- 174.00496 154.9
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