CID 8287

Chlorphonium chloride

Structural Information

Molecular Formula
C19H32Cl2P
SMILES
CCCC[P+](CCCC)(CCCC)CC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1
InChIKey
OAGIOQZKOZPWKF-UHFFFAOYSA-N
Compound name
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

8
References

4290
Patents

361.16187 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.169146 193.1
[M+Na]+ 384.151088 199.3
[M-H]- 360.154594 194.0
[M+NH4]+ 379.195693 208.3
[M+K]+ 400.125028 186.4
[M+H-H2O]+ 344.159130 188.4
[M+HCOO]- 406.160071 207.8
[M+CH3COO]- 420.175721 212.7
[M+Na-2H]- 382.136536 192.6
[M]+ 361.16132142 200.2
[M]- 361.16241858 200.2
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