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]+ 247.01169 147.0
[M+Na]+ 268.99363 160.7
[M-H]- 244.99713 157.8
[M+NH4]+ 264.03823 164.7
[M+K]+ 284.96757 148.9
[M+H-H2O]+ 229.00167 146.7
[M+HCOO]- 291.00261 168.2
[M+CH3COO]- 305.01826 162.1
[M+Na-2H]- 266.97908 155.8
[M]+ 246.00386 166.4
[M]- 246.00496 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.