CID 165650317

2-bromo-6-cyclopropylnaphthalene

Structural Information

Molecular Formula
C13H11Br
SMILES
C1CC1C2=CC3=C(C=C2)C=C(C=C3)Br
InChI
InChI=1S/C13H11Br/c14-13-6-5-11-7-10(9-1-2-9)3-4-12(11)8-13/h3-9H,1-2H2
InChIKey
DYHMTWKRKNVSBC-UHFFFAOYSA-N
Compound name
2-bromo-6-cyclopropylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00441 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.011686 147.0
[M+Na]+ 268.993628 160.7
[M-H]- 244.997134 157.8
[M+NH4]+ 264.038233 164.7
[M+K]+ 284.967568 148.9
[M+H-H2O]+ 229.001670 146.7
[M+HCOO]- 291.002611 168.2
[M+CH3COO]- 305.018261 162.1
[M+Na-2H]- 266.979076 155.8
[M]+ 246.00386142 166.4
[M]- 246.00495858 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.