CID 19370648

Schembl2511800

Structural Information

Molecular Formula
C15H13N2
SMILES
C1=CC=C(C=C1)[N+]2(C=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C15H13N2/c1-3-8-14(9-4-1)17(13-7-12-16-17)15-10-5-2-6-11-15/h1-13H/q+1
InChIKey
HKXGOYJREGRGPC-UHFFFAOYSA-N
Compound name
1,1-diphenylpyrazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

221.10788 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.115156 149.7
[M+Na]+ 244.097098 157.9
[M-H]- 220.100604 157.2
[M+NH4]+ 239.141703 168.1
[M+K]+ 260.071038 147.4
[M+H-H2O]+ 204.105140 142.8
[M+HCOO]- 266.106081 172.7
[M+CH3COO]- 280.121731 179.7
[M+Na-2H]- 242.082546 159.8
[M]+ 221.10733142 146.9
[M]- 221.10842858 146.9
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