CID 3610633

150404-18-5

Structural Information

Molecular Formula
C16H15N2P
SMILES
CN1C=CN=C1P(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N2P/c1-18-13-12-17-16(18)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKey
XETUDUREHZVDEM-UHFFFAOYSA-N
Compound name
(1-methylimidazol-2-yl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

266.0973 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10458 162.2
[M+Na]+ 289.08652 168.7
[M-H]- 265.09002 167.8
[M+NH4]+ 284.13112 177.3
[M+K]+ 305.06046 164.1
[M+H-H2O]+ 249.09456 149.9
[M+HCOO]- 311.09550 189.0
[M+CH3COO]- 325.11115 173.6
[M+Na-2H]- 287.07197 162.2
[M]+ 266.09675 161.4
[M]- 266.09785 161.4
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