CID 6510078

81892-42-4

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
COC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C11H11ClN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3/b13-9-
InChIKey
CAVHKCYPWPSULT-LCYFTJDESA-N
Compound name
methyl (4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.04582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.053096 151.7
[M+Na]+ 277.035038 160.7
[M-H]- 253.038544 155.0
[M+NH4]+ 272.079643 169.5
[M+K]+ 293.008978 157.0
[M+H-H2O]+ 237.043080 145.7
[M+HCOO]- 299.044021 167.9
[M+CH3COO]- 313.059671 193.7
[M+Na-2H]- 275.020486 157.0
[M]+ 254.04527142 153.4
[M]- 254.04636858 153.4
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