CID 12453881

3-bromocyclohept-1-ene

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CCC(C=CC1)Br
InChI
InChI=1S/C7H11Br/c8-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2
InChIKey
ZKGXAEJNBLJUQF-UHFFFAOYSA-N
Compound name
3-bromocycloheptene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

174.00441 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 125.4
[M+Na]+ 196.99363 132.9
[M-H]- 172.99713 132.0
[M+NH4]+ 192.03823 147.4
[M+K]+ 212.96757 127.3
[M+H-H2O]+ 157.00167 126.9
[M+HCOO]- 219.00261 144.6
[M+CH3COO]- 233.01826 179.5
[M+Na-2H]- 194.97908 133.4
[M]+ 174.00386 136.6
[M]- 174.00496 136.6
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