CID 145769

Bis-fenitrothion

Structural Information

Molecular Formula
C15H15N2O7PS
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC2=CC(=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]
InChI
InChI=1S/C15H15N2O7PS/c1-10-8-12(4-6-14(10)16(18)19)23-25(26,22-3)24-13-5-7-15(17(20)21)11(2)9-13/h4-9H,1-3H3
InChIKey
QAZKYCDDQSMQFA-UHFFFAOYSA-N
Compound name
methoxy-bis(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.03375 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.04103 183.7
[M+Na]+ 421.02297 187.7
[M-H]- 397.02647 189.8
[M+NH4]+ 416.06757 193.2
[M+K]+ 436.99691 177.2
[M+H-H2O]+ 381.03101 181.6
[M+HCOO]- 443.03195 207.7
[M+CH3COO]- 457.04760 208.8
[M+Na-2H]- 419.00842 189.8
[M]+ 398.03320 185.8
[M]- 398.03430 185.8
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.