CID 9574250

2clphcon2 4oxop

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
C/C(=N/NC(=O)C1=CC=CC=C1Cl)/CCC(=O)O
InChI
InChI=1S/C12H13ClN2O3/c1-8(6-7-11(16)17)14-15-12(18)9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,15,18)(H,16,17)/b14-8-
InChIKey
LYZUNBMPZFXTRN-ZSOIEALJSA-N
Compound name
(4Z)-4-[(2-chlorobenzoyl)hydrazinylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 158.7
[M+Na]+ 291.05068 164.9
[M-H]- 267.05418 162.2
[M+NH4]+ 286.09528 175.2
[M+K]+ 307.02462 161.5
[M+H-H2O]+ 251.05872 152.8
[M+HCOO]- 313.05966 178.2
[M+CH3COO]- 327.07531 200.0
[M+Na-2H]- 289.03613 161.1
[M]+ 268.06091 160.9
[M]- 268.06201 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.