CID 4377707

1-bromo-4-isocyanatonaphthalene

Structural Information

Molecular Formula
C11H6BrNO
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)N=C=O
InChI
InChI=1S/C11H6BrNO/c12-10-5-6-11(13-7-14)9-4-2-1-3-8(9)10/h1-6H
InChIKey
VWVGFGCFRGMOLK-UHFFFAOYSA-N
Compound name
1-bromo-4-isocyanatonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

246.96329 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97057 141.8
[M+Na]+ 269.95251 154.6
[M-H]- 245.95601 150.6
[M+NH4]+ 264.99711 164.4
[M+K]+ 285.92645 143.1
[M+H-H2O]+ 229.96055 141.5
[M+HCOO]- 291.96149 166.0
[M+CH3COO]- 305.97714 193.9
[M+Na-2H]- 267.93796 152.3
[M]+ 246.96274 161.6
[M]- 246.96384 161.6
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