CID 24136

7508-73-8

Structural Information

Molecular Formula
C14H13N2O7PS
SMILES
CCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N2O7PS/c1-2-21-24(25,22-13-7-3-11(4-8-13)15(17)18)23-14-9-5-12(6-10-14)16(19)20/h3-10H,2H2,1H3
InChIKey
SPAIIFJILQXFKL-UHFFFAOYSA-N
Compound name
ethoxy-bis(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.0181 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02538 179.8
[M+Na]+ 407.00732 182.7
[M-H]- 383.01082 185.4
[M+NH4]+ 402.05192 189.3
[M+K]+ 422.98126 172.2
[M+H-H2O]+ 367.01536 177.5
[M+HCOO]- 429.01630 204.3
[M+CH3COO]- 443.03195 203.7
[M+Na-2H]- 404.99277 187.2
[M]+ 384.01755 180.9
[M]- 384.01865 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe