CID 34175419

4-bromo-2-fluoro-5-methylbenzonitrile

Structural Information

Molecular Formula
C8H5BrFN
SMILES
CC1=CC(=C(C=C1Br)F)C#N
InChI
InChI=1S/C8H5BrFN/c1-5-2-6(4-11)8(10)3-7(5)9/h2-3H,1H3
InChIKey
AVBKISZUVMWQIA-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-5-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

212.95894 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96622 138.0
[M+Na]+ 235.94816 142.9
[M+NH4]+ 230.99276 140.5
[M+K]+ 251.92210 138.7
[M-H]- 211.95166 131.9
[M+Na-2H]- 233.93361 139.8
[M]+ 212.95839 135.3
[M]- 212.95949 135.3
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