CID 132233110

3-(dimethylphosphoryl)benzonitrile

Structural Information

Molecular Formula
C9H10NOP
SMILES
CP(=O)(C)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C9H10NOP/c1-12(2,11)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
InChIKey
HFNCFDRBMPXZDD-UHFFFAOYSA-N
Compound name
3-dimethylphosphorylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.05 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05728 136.8
[M+Na]+ 202.03922 147.4
[M-H]- 178.04272 139.6
[M+NH4]+ 197.08382 155.7
[M+K]+ 218.01316 144.6
[M+H-H2O]+ 162.04726 123.4
[M+HCOO]- 224.04820 161.4
[M+CH3COO]- 238.06385 194.3
[M+Na-2H]- 200.02467 141.1
[M]+ 179.04945 133.7
[M]- 179.05055 133.7
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