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 147.0
[M+Na]+ 246.01147 156.1
[M-H]- 222.01497 153.9
[M+NH4]+ 241.05607 168.1
[M+K]+ 261.98541 150.5
[M+H-H2O]+ 206.01951 141.7
[M+HCOO]- 268.02045 162.9
[M+CH3COO]- 282.03610 160.3
[M+Na-2H]- 243.99692 148.1
[M]+ 223.02170 148.4
[M]- 223.02280 148.4
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