CID 2783393

2-bromo-3-fluorobenzonitrile

Structural Information

Molecular Formula
C7H3BrFN
SMILES
C1=CC(=C(C(=C1)F)Br)C#N
InChI
InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChIKey
DBECKESJFGWYFN-UHFFFAOYSA-N
Compound name
2-bromo-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

317
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 127.1
[M+Na]+ 221.93250 142.2
[M-H]- 197.93600 131.2
[M+NH4]+ 216.97710 148.0
[M+K]+ 237.90644 130.6
[M+H-H2O]+ 181.94054 120.5
[M+HCOO]- 243.94148 147.7
[M+CH3COO]- 257.95713 194.0
[M+Na-2H]- 219.91795 135.1
[M]+ 198.94273 138.0
[M]- 198.94383 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe