CID 12433008

4-(bromomethyl)naphthalene-1-carbonitrile

Structural Information

Molecular Formula
C12H8BrN
SMILES
C1=CC=C2C(=CC=C(C2=C1)CBr)C#N
InChI
InChI=1S/C12H8BrN/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7H2
InChIKey
MFUZJLPIGYIBSM-UHFFFAOYSA-N
Compound name
4-(bromomethyl)naphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

244.98401 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.991286 145.8
[M+Na]+ 267.973228 160.5
[M-H]- 243.976734 151.1
[M+NH4]+ 263.017833 165.9
[M+K]+ 283.947168 146.7
[M+H-H2O]+ 227.981270 139.5
[M+HCOO]- 289.982211 165.6
[M+CH3COO]- 303.997861 159.5
[M+Na-2H]- 265.958676 154.1
[M]+ 244.98346142 158.0
[M]- 244.98455858 158.0
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