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]+ 215.94548 131.4
[M+Na]+ 237.92742 144.7
[M-H]- 213.93092 138.4
[M+NH4]+ 232.97202 154.3
[M+K]+ 253.90136 133.7
[M+H-H2O]+ 197.93546 130.5
[M+HCOO]- 259.93640 156.0
[M+CH3COO]- 273.95205 187.5
[M+Na-2H]- 235.91287 140.4
[M]+ 214.93765 149.8
[M]- 214.93875 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.