CID 139802

1,3-dibromoazulene

Structural Information

Molecular Formula
C10H6Br2
SMILES
C1=CC=C2C(=C(C=C2Br)Br)C=C1
InChI
InChI=1S/C10H6Br2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H
InChIKey
OEXLRDNVSRMWHO-UHFFFAOYSA-N
Compound name
1,3-dibromoazulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

283.88364 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.89092 141.0
[M+Na]+ 306.87286 152.5
[M-H]- 282.87636 150.0
[M+NH4]+ 301.91746 162.0
[M+K]+ 322.84680 140.9
[M+H-H2O]+ 266.88090 150.6
[M+HCOO]- 328.88184 158.6
[M+CH3COO]- 342.89749 155.8
[M+Na-2H]- 304.85831 148.5
[M]+ 283.88309 172.0
[M]- 283.88419 172.0
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