CID 3059191

Methyl 3-cyanophos

Structural Information

Molecular Formula
C10H12NO3PS
SMILES
CC1=C(C=CC(=C1)C#N)OP(=S)(OC)OC
InChI
InChI=1S/C10H12NO3PS/c1-8-6-9(7-11)4-5-10(8)14-15(16,12-2)13-3/h4-6H,1-3H3
InChIKey
VJEQJCFWMZOKRZ-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-3-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03484 152.0
[M+Na]+ 280.01678 162.5
[M-H]- 256.02028 155.5
[M+NH4]+ 275.06138 168.8
[M+K]+ 295.99072 160.7
[M+H-H2O]+ 240.02482 137.9
[M+HCOO]- 302.02576 172.2
[M+CH3COO]- 316.04141 205.1
[M+Na-2H]- 278.00223 153.0
[M]+ 257.02701 153.8
[M]- 257.02811 153.8
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

No patent data available for this compound.