CID 5141658

Trans-1,2-dibromo-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H10Br2
SMILES
C1CC2=CC=CC=C2C(C1Br)Br
InChI
InChI=1S/C10H10Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10H,5-6H2
InChIKey
LDIQOSRBJPAHHX-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.91492 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92220 142.4
[M+Na]+ 310.90414 152.6
[M-H]- 286.90764 149.6
[M+NH4]+ 305.94874 162.8
[M+K]+ 326.87808 137.7
[M+H-H2O]+ 270.91218 151.4
[M+HCOO]- 332.91312 156.5
[M+CH3COO]- 346.92877 156.4
[M+Na-2H]- 308.88959 150.0
[M]+ 287.91437 174.0
[M]- 287.91547 174.0
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