CID 565381

Bromomethylenecyclohexane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CCC(=CBr)CC1
InChI
InChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKey
OVYGOCFMWWWMBP-UHFFFAOYSA-N
Compound name
bromomethylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 131.9
[M+Na]+ 196.99363 140.9
[M-H]- 172.99713 137.4
[M+NH4]+ 192.03823 155.4
[M+K]+ 212.96757 130.6
[M+H-H2O]+ 157.00167 132.9
[M+HCOO]- 219.00261 150.6
[M+CH3COO]- 233.01826 176.1
[M+Na-2H]- 194.97908 139.1
[M]+ 174.00386 144.9
[M]- 174.00496 144.9
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