CID 3056469

73790-37-1

Structural Information

Molecular Formula
C14H26ClN3P
SMILES
CN(C)[P+](CC1=CC=C(C=C1)CCl)(N(C)C)N(C)C
InChI
InChI=1S/C14H26ClN3P/c1-16(2)19(17(3)4,18(5)6)12-14-9-7-13(11-15)8-10-14/h7-10H,11-12H2,1-6H3/q+1
InChIKey
ZPAMPUISZKMZHW-UHFFFAOYSA-N
Compound name
[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15527 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16255 173.7
[M+Na]+ 325.14449 178.4
[M-H]- 301.14799 180.0
[M+NH4]+ 320.18909 191.3
[M+K]+ 341.11843 172.3
[M+H-H2O]+ 285.15253 167.5
[M+HCOO]- 347.15347 199.8
[M+CH3COO]- 361.16912 216.8
[M+Na-2H]- 323.12994 176.3
[M]+ 302.15472 179.1
[M]- 302.15582 179.1
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.