CID 14818

Phosphorus sesquisulfide

Structural Information

Molecular Formula
P4S3
SMILES
P12P3P1SP(S2)S3
InChI
InChI=1S/P4S3/c5-1-2-3(1)7-4(5)6-2
InChIKey
RWQFRHVDPXXRQN-UHFFFAOYSA-N
Compound name
3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

754
Patents

219.81126 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.81854 99.0
[M+Na]+ 242.80048 111.8
[M-H]- 218.80398 99.1
[M+NH4]+ 237.84508 123.5
[M+K]+ 258.77442 111.7
[M+H-H2O]+ 202.80852 88.7
[M+HCOO]- 264.80946 131.1
[M+CH3COO]- 278.82511 195.8
[M+Na-2H]- 240.78593 100.1
[M]+ 219.81071 112.5
[M]- 219.81181 112.5
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