CID 23591837

2-bromo-4-fluoro-1-isocyanobenzene

Structural Information

Molecular Formula
C7H3BrFN
SMILES
[C-]#[N+]C1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C7H3BrFN/c1-10-7-3-2-5(9)4-6(7)8/h2-4H
InChIKey
MRWMILPYBNOBLG-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoro-1-isocyanobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

198.94328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.950556 134.4
[M+Na]+ 221.932498 149.0
[M-H]- 197.936004 137.2
[M+NH4]+ 216.977103 154.4
[M+K]+ 237.906438 132.9
[M+H-H2O]+ 181.940540 132.0
[M+HCOO]- 243.941481 154.0
[M+CH3COO]- 257.957131 186.1
[M+Na-2H]- 219.917946 142.5
[M]+ 198.94273142 142.8
[M]- 198.94382858 142.8
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

patents stripe