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

209
Patents

244.98401 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99129 145.8
[M+Na]+ 267.97323 160.5
[M-H]- 243.97673 151.1
[M+NH4]+ 263.01783 165.9
[M+K]+ 283.94717 146.7
[M+H-H2O]+ 227.98127 139.5
[M+HCOO]- 289.98221 165.6
[M+CH3COO]- 303.99786 159.5
[M+Na-2H]- 265.95868 154.1
[M]+ 244.98346 158.0
[M]- 244.98456 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