CID 5917650

Nsc671797

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
CC1=CC\2=C(C(=C1)Cl)O/C(=C\C3=CC=CO3)/C2=N/O
InChI
InChI=1S/C14H10ClNO3/c1-8-5-10-13(16-17)12(7-9-3-2-4-18-9)19-14(10)11(15)6-8/h2-7,17H,1H3/b12-7-,16-13+
InChIKey
RKXBYZLTAYVGCO-XJARGUHHSA-N
Compound name
(NE)-N-[(2Z)-7-chloro-2-(furan-2-ylmethylidene)-5-methyl-1-benzofuran-3-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0349 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 162.3
[M+Na]+ 298.02412 173.4
[M-H]- 274.02762 172.2
[M+NH4]+ 293.06872 181.5
[M+K]+ 313.99806 169.8
[M+H-H2O]+ 258.03216 157.9
[M+HCOO]- 320.03310 181.9
[M+CH3COO]- 334.04875 176.2
[M+Na-2H]- 296.00957 165.6
[M]+ 275.03435 167.3
[M]- 275.03545 167.3
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.