CID 3061049

78593-84-7

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
C1CC2CC1C3=CN(C=C23)C4=C(C=CC(=C4O)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H13ClN2O3/c16-12-3-4-13(18(20)21)15(19)14(12)17-6-10-8-1-2-9(5-8)11(10)7-17/h3-4,6-9,19H,1-2,5H2
InChIKey
GGGQUBFNNIIJIH-UHFFFAOYSA-N
Compound name
2-(4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)-3-chloro-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 171.9
[M+Na]+ 327.05068 180.5
[M-H]- 303.05418 177.5
[M+NH4]+ 322.09528 192.8
[M+K]+ 343.02462 171.1
[M+H-H2O]+ 287.05872 171.9
[M+HCOO]- 349.05966 188.1
[M+CH3COO]- 363.07531 195.9
[M+Na-2H]- 325.03613 173.5
[M]+ 304.06091 173.1
[M]- 304.06201 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.