CID 13007805

4-(thiophen-2-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C10H10N2S
SMILES
C1=CSC(=C1)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C10H10N2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,11-12H2
InChIKey
XWTMGMKBRLLEFX-UHFFFAOYSA-N
Compound name
4-thiophen-2-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

190.05647 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 137.7
[M+Na]+ 213.04569 146.9
[M-H]- 189.04919 144.6
[M+NH4]+ 208.09029 159.0
[M+K]+ 229.01963 142.2
[M+H-H2O]+ 173.05373 131.6
[M+HCOO]- 235.05467 159.9
[M+CH3COO]- 249.07032 151.6
[M+Na-2H]- 211.03114 139.9
[M]+ 190.05592 136.1
[M]- 190.05702 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe