CID 6560260

Exo-2-bromonorbornane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2Br
InChI
InChI=1S/C7H11Br/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7+/m1/s1
InChIKey
QXYOAWHKJRWNID-VQVTYTSYSA-N
Compound name
(1S,2S,4R)-2-bromobicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

174.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 139.0
[M+Na]+ 196.993628 150.5
[M-H]- 172.997134 144.7
[M+NH4]+ 192.038233 167.8
[M+K]+ 212.967568 140.7
[M+H-H2O]+ 157.001670 141.0
[M+HCOO]- 219.002611 158.7
[M+CH3COO]- 233.018261 154.8
[M+Na-2H]- 194.979076 144.3
[M]+ 174.00386142 154.9
[M]- 174.00495858 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