CID 5334619

Mls000107235

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
C1=CC=C2C(=C1)C=C(O2)/C(=N/O)/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO2/c16-12-7-5-10(6-8-12)15(17-18)14-9-11-3-1-2-4-13(11)19-14/h1-9,18H/b17-15+
InChIKey
ZEOAOTRMQPJDQG-BMRADRMJSA-N
Compound name
(NE)-N-[1-benzofuran-2-yl-(4-chlorophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

271.04 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 158.8
[M+Na]+ 294.02922 169.3
[M-H]- 270.03272 167.8
[M+NH4]+ 289.07382 177.2
[M+K]+ 310.00316 164.6
[M+H-H2O]+ 254.03726 152.5
[M+HCOO]- 316.03820 179.9
[M+CH3COO]- 330.05385 172.5
[M+Na-2H]- 292.01467 165.5
[M]+ 271.03945 163.7
[M]- 271.04055 163.7
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.