CID 163778

Bis(2,4,4-trimethylpentyl)dithiophosphinic acid

Structural Information

Molecular Formula
C16H35PS2
SMILES
CC(CC(C)(C)C)CP(=S)(CC(C)CC(C)(C)C)S
InChI
InChI=1S/C16H35PS2/c1-13(9-15(3,4)5)11-17(18,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,18,19)
InChIKey
YOCZZJWFWDUAAR-UHFFFAOYSA-N
Compound name
sulfanyl-sulfanylidene-bis(2,4,4-trimethylpentyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

593
Patents

322.19177 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19905 177.9
[M+Na]+ 345.18099 181.0
[M-H]- 321.18449 175.9
[M+NH4]+ 340.22559 193.8
[M+K]+ 361.15493 177.3
[M+H-H2O]+ 305.18903 169.8
[M+HCOO]- 367.18997 186.9
[M+CH3COO]- 381.20562 212.9
[M+Na-2H]- 343.16644 172.4
[M]+ 322.19122 183.0
[M]- 322.19232 183.0
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