CID 135484787

Nsc630051

Structural Information

Molecular Formula
C14H11Cl2GaN2O
SMILES
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)O[Ga-](Cl)Cl
InChI
InChI=1S/C14H11N2O.2ClH.Ga/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14;;;/h1-9,13H,(H,15,16);2*1H;/q-1;;;+2/p-2
InChIKey
BGSNFKPQTSLLEY-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.9504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.95768 172.5
[M+Na]+ 384.93962 180.1
[M-H]- 360.94312 173.0
[M+NH4]+ 379.98422 186.2
[M+K]+ 400.91356 172.8
[M+H-H2O]+ 344.94766 166.2
[M+HCOO]- 406.94860 181.3
[M+CH3COO]- 420.96425 197.0
[M+Na-2H]- 382.92507 174.5
[M]+ 361.94985 173.1
[M]- 361.95095 173.1
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.