CID 24709144

1-bromo-2-isocyanato-4-methoxybenzene

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
COC1=CC(=C(C=C1)Br)N=C=O
InChI
InChI=1S/C8H6BrNO2/c1-12-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
InChIKey
BFLCOJOPDHIETH-UHFFFAOYSA-N
Compound name
1-bromo-2-isocyanato-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.95819 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 134.9
[M+Na]+ 249.94741 147.6
[M+NH4]+ 244.99201 143.0
[M+K]+ 265.92135 157.3
[M-H]- 225.95091 137.3
[M+Na-2H]- 247.93286 134.4
[M]+ 226.95764 160.3
[M]- 226.95874 189.7
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.