CID 103416

Phenol, 4-(1-methylethyl)-, hydrogen phosphorodithioate

Structural Information

Molecular Formula
C18H23O2PS2
SMILES
CC(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C(C)C)S
InChI
InChI=1S/C18H23O2PS2/c1-13(2)15-5-9-17(10-6-15)19-21(22,23)20-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H,22,23)
InChIKey
VCUXVVSVIYQUHA-UHFFFAOYSA-N
Compound name
bis(4-propan-2-ylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

366.0877 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09498 178.7
[M+Na]+ 389.07692 190.3
[M+NH4]+ 384.12152 186.7
[M+K]+ 405.05086 180.6
[M-H]- 365.08042 182.3
[M+Na-2H]- 387.06237 185.2
[M]+ 366.08715 182.4
[M]- 366.08825 182.4
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