CID 22506646

(4-chlorophenyl)(thiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H10ClNS
SMILES
C1=CSC(=C1)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H10ClNS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11H,13H2
InChIKey
HFNYTYLFYVCWGO-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

223.02225 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.02953 146.4
[M+Na]+ 246.01147 159.6
[M+NH4]+ 241.05607 157.0
[M+K]+ 261.98541 151.5
[M-H]- 222.01497 151.8
[M+Na-2H]- 243.99692 154.8
[M]+ 223.02170 150.6
[M]- 223.02280 150.6
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