CID 154832526

4-bromo-2-(dimethylphosphoryl)benzonitrile

Structural Information

Molecular Formula
C9H9BrNOP
SMILES
CP(=O)(C)C1=C(C=CC(=C1)Br)C#N
InChI
InChI=1S/C9H9BrNOP/c1-13(2,12)9-5-8(10)4-3-7(9)6-11/h3-5H,1-2H3
InChIKey
YUAZFDSEJNABNK-UHFFFAOYSA-N
Compound name
4-bromo-2-dimethylphosphorylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.9605 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.96778 149.7
[M+Na]+ 279.94972 164.1
[M-H]- 255.95322 153.9
[M+NH4]+ 274.99432 169.1
[M+K]+ 295.92366 152.5
[M+H-H2O]+ 239.95776 141.7
[M+HCOO]- 301.95870 173.6
[M+CH3COO]- 315.97435 203.8
[M+Na-2H]- 277.93517 153.9
[M]+ 256.95995 163.5
[M]- 256.96105 163.5
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