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

10
Patents

198.94328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95056 134.4
[M+Na]+ 221.93250 149.0
[M-H]- 197.93600 137.2
[M+NH4]+ 216.97710 154.4
[M+K]+ 237.90644 132.9
[M+H-H2O]+ 181.94054 132.0
[M+HCOO]- 243.94148 154.0
[M+CH3COO]- 257.95713 186.1
[M+Na-2H]- 219.91795 142.5
[M]+ 198.94273 142.8
[M]- 198.94383 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