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 179.3
[M+Na]+ 389.07692 185.0
[M-H]- 365.08042 184.3
[M+NH4]+ 384.12152 192.9
[M+K]+ 405.05086 180.1
[M+H-H2O]+ 349.08496 169.1
[M+HCOO]- 411.08590 194.4
[M+CH3COO]- 425.10155 216.2
[M+Na-2H]- 387.06237 175.0
[M]+ 366.08715 184.5
[M]- 366.08825 184.5
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