CID 2776062

5-(bromomethyl)bicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C8H11Br
SMILES
C1C2CC(C1C=C2)CBr
InChI
InChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKey
XCDJEPZLSGMJSM-UHFFFAOYSA-N
Compound name
5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

245
Patents

186.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.011686 141.3
[M+Na]+ 208.993628 153.3
[M-H]- 184.997134 147.2
[M+NH4]+ 204.038233 169.7
[M+K]+ 224.967568 143.1
[M+H-H2O]+ 169.001670 143.1
[M+HCOO]- 231.002611 162.1
[M+CH3COO]- 245.018261 157.2
[M+Na-2H]- 206.979076 147.0
[M]+ 186.00386142 158.9
[M]- 186.00495858 158.9
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