CID 214365

33060-84-3

Structural Information

Molecular Formula
C17H31ClPS
SMILES
CCCC[P+](CCCC)(CCCC)CC1=CC=C(S1)Cl
InChI
InChI=1S/C17H31ClPS/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-10-11-17(18)20-16/h10-11H,4-9,12-15H2,1-3H3/q+1
InChIKey
NRCBKKLJWKAFNS-UHFFFAOYSA-N
Compound name
tributyl-[(5-chlorothiophen-2-yl)methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

333.15726 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16454 183.6
[M+Na]+ 356.14648 189.2
[M-H]- 332.14998 185.6
[M+NH4]+ 351.19108 201.6
[M+K]+ 372.12042 178.0
[M+H-H2O]+ 316.15452 178.4
[M+HCOO]- 378.15546 200.1
[M+CH3COO]- 392.17111 205.3
[M+Na-2H]- 354.13193 180.8
[M]+ 333.15671 190.7
[M]- 333.15781 190.7
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

No patent data available for this compound.