CID 43248413

1-bromo-3-fluoro-5-isocyanatobenzene

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=C(C=C(C=C1F)Br)N=C=O
InChI
InChI=1S/C7H3BrFNO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChIKey
SIOKYKPILYGSTR-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-5-isocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.9382 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.945476 131.4
[M+Na]+ 237.927418 144.7
[M-H]- 213.930924 138.4
[M+NH4]+ 232.972023 154.3
[M+K]+ 253.901358 133.7
[M+H-H2O]+ 197.935460 130.5
[M+HCOO]- 259.936401 156.0
[M+CH3COO]- 273.952051 187.5
[M+Na-2H]- 235.912866 140.4
[M]+ 214.93765142 149.8
[M]- 214.93874858 149.8
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.