CID 69429

Tri-o-cresyl thiophosphate

Structural Information

Molecular Formula
C21H21O3PS
SMILES
CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI
InChI=1S/C21H21O3PS/c1-16-10-4-7-13-19(16)22-25(26,23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
RJDVGKCBHFINOK-UHFFFAOYSA-N
Compound name
tris(2-methylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

384.0949 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10218 189.5
[M+Na]+ 407.08412 196.7
[M-H]- 383.08762 198.2
[M+NH4]+ 402.12872 202.0
[M+K]+ 423.05806 191.8
[M+H-H2O]+ 367.09216 177.8
[M+HCOO]- 429.09310 212.4
[M+CH3COO]- 443.10875 218.6
[M+Na-2H]- 405.06957 188.5
[M]+ 384.09435 195.1
[M]- 384.09545 195.1
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