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

3
Patents

270.0463 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.053576 155.2
[M+Na]+ 293.035518 163.5
[M-H]- 269.039024 163.7
[M+NH4]+ 288.080123 173.6
[M+K]+ 309.009458 154.4
[M+H-H2O]+ 253.043560 152.8
[M+HCOO]- 315.044501 178.5
[M+CH3COO]- 329.060151 191.6
[M+Na-2H]- 291.020966 162.6
[M]+ 270.04575142 156.2
[M]- 270.04684858 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