CID 4438528

1,2-dibromocyclopentene

Structural Information

Molecular Formula
C5H6Br2
SMILES
C1CC(=C(C1)Br)Br
InChI
InChI=1S/C5H6Br2/c6-4-2-1-3-5(4)7/h1-3H2
InChIKey
PNWFXPGGROADNS-UHFFFAOYSA-N
Compound name
1,2-dibromocyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

223.88364 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.89092 131.7
[M+Na]+ 246.87286 143.5
[M-H]- 222.87636 138.8
[M+NH4]+ 241.91746 154.8
[M+K]+ 262.84680 129.0
[M+H-H2O]+ 206.88090 140.6
[M+HCOO]- 268.88184 148.9
[M+CH3COO]- 282.89749 192.2
[M+Na-2H]- 244.85831 138.7
[M]+ 223.88309 164.0
[M]- 223.88419 164.0
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