CID 16039315

893413-42-8

Structural Information

Molecular Formula
C18H27ClN6OP
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC(=C5)Cl)N=N4
InChI
InChI=1S/C18H27ClN6OP/c19-16-7-8-17-18(15-16)25(21-20-17)26-27(22-9-1-2-10-22,23-11-3-4-12-23)24-13-5-6-14-24/h7-8,15H,1-6,9-14H2/q+1
InChIKey
PRKRAKFHNGFSIT-UHFFFAOYSA-N
Compound name
(6-chlorobenzotriazol-1-yl)oxy-tripyrrolidin-1-ylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

409.16724 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17452 193.0
[M+Na]+ 432.15646 195.4
[M-H]- 408.15996 198.1
[M+NH4]+ 427.20106 202.7
[M+K]+ 448.13040 188.0
[M+H-H2O]+ 392.16450 180.3
[M+HCOO]- 454.16544 204.1
[M+CH3COO]- 468.18109 211.6
[M+Na-2H]- 430.14191 186.4
[M]+ 409.16669 188.4
[M]- 409.16779 188.4
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

patents stripe