CID 5492760

Phenol, 4-((2-nitrobenzo(b)thien-3-yl)amino)-

Structural Information

Molecular Formula
C14H10N2O3S
SMILES
C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])NC3=CC=C(C=C3)O
InChI
InChI=1S/C14H10N2O3S/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)20-14(13)16(18)19/h1-8,15,17H
InChIKey
QKOLCCDLMCCJIW-UHFFFAOYSA-N
Compound name
4-[(2-nitro-1-benzothiophen-3-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0412 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04848 157.8
[M+Na]+ 309.03042 166.1
[M-H]- 285.03392 165.2
[M+NH4]+ 304.07502 175.0
[M+K]+ 325.00436 156.7
[M+H-H2O]+ 269.03846 155.7
[M+HCOO]- 331.03940 179.6
[M+CH3COO]- 345.05505 192.2
[M+Na-2H]- 307.01587 164.6
[M]+ 286.04065 158.7
[M]- 286.04175 158.7
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.