CID 197891

Benzo(b)thiophen-3-amine, 2-nitro-n-phenyl-

Structural Information

Molecular Formula
C14H10N2O2S
SMILES
C1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O2S/c17-16(18)14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-14/h1-9,15H
InChIKey
ZQHXXAOMTMKWSQ-UHFFFAOYSA-N
Compound name
2-nitro-N-phenyl-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.0463 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05358 155.2
[M+Na]+ 293.03552 163.5
[M-H]- 269.03902 163.7
[M+NH4]+ 288.08012 173.6
[M+K]+ 309.00946 154.4
[M+H-H2O]+ 253.04356 152.8
[M+HCOO]- 315.04450 178.5
[M+CH3COO]- 329.06015 191.6
[M+Na-2H]- 291.02097 162.6
[M]+ 270.04575 156.2
[M]- 270.04685 156.2
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