CID 19009137

926936-73-4

Structural Information

Molecular Formula
C18H27O3PS
SMILES
C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3S(=O)(=O)O
InChI
InChI=1S/C18H27O3PS/c19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2,(H,19,20,21)
InChIKey
HGWGEQXOJCXFBA-UHFFFAOYSA-N
Compound name
2-dicyclohexylphosphanylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

354.14185 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14913 179.5
[M+Na]+ 377.13107 179.7
[M-H]- 353.13457 184.1
[M+NH4]+ 372.17567 191.3
[M+K]+ 393.10501 175.6
[M+H-H2O]+ 337.13911 169.1
[M+HCOO]- 399.14005 192.7
[M+CH3COO]- 413.15570 207.2
[M+Na-2H]- 375.11652 174.9
[M]+ 354.14130 172.3
[M]- 354.14240 172.3
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