CID 135538372

28058-29-9

Structural Information

Molecular Formula
C12H9ClN4O3
SMILES
C1=CC(=C(C=C1Cl)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H9ClN4O3/c13-9-1-3-11(18)8(5-9)6-15-16-12-4-2-10(7-14-12)17(19)20/h1-7,18H,(H,14,16)/b15-6-
InChIKey
CDWXJSZGBVSYHO-UUASQNMZSA-N
Compound name
4-chloro-2-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.03632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04360 160.8
[M+Na]+ 315.02554 168.1
[M-H]- 291.02904 166.4
[M+NH4]+ 310.07014 174.1
[M+K]+ 330.99948 159.2
[M+H-H2O]+ 275.03358 157.4
[M+HCOO]- 337.03452 183.2
[M+CH3COO]- 351.05017 197.4
[M+Na-2H]- 313.01099 169.4
[M]+ 292.03577 160.9
[M]- 292.03687 160.9
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

No patent data available for this compound.