CID 2753093

2-(bromomethyl)-3-methylnaphthalene

Structural Information

Molecular Formula
C12H11Br
SMILES
CC1=CC2=CC=CC=C2C=C1CBr
InChI
InChI=1S/C12H11Br/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13/h2-7H,8H2,1H3
InChIKey
WNKGWGYRZPIHSQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

234.00441 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01169 143.5
[M+Na]+ 256.99363 155.9
[M-H]- 232.99713 151.0
[M+NH4]+ 252.03823 166.5
[M+K]+ 272.96757 144.3
[M+H-H2O]+ 217.00167 144.1
[M+HCOO]- 279.00261 164.5
[M+CH3COO]- 293.01826 159.2
[M+Na-2H]- 254.97908 152.7
[M]+ 234.00386 162.6
[M]- 234.00496 162.6
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

patents stripe