CID 55296043

1270420-10-4

Structural Information

Molecular Formula
C7H8F3NS
SMILES
CC(C1=CC=C(S1)C(F)(F)F)N
InChI
InChI=1S/C7H8F3NS/c1-4(11)5-2-3-6(12-5)7(8,9)10/h2-4H,11H2,1H3
InChIKey
LGPHUAZLZMPEML-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

195.03296 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.040236 135.1
[M+Na]+ 218.022178 143.9
[M-H]- 194.025684 135.0
[M+NH4]+ 213.066783 156.5
[M+K]+ 233.996118 141.0
[M+H-H2O]+ 178.030220 127.6
[M+HCOO]- 240.031161 150.3
[M+CH3COO]- 254.046811 183.3
[M+Na-2H]- 216.007626 135.2
[M]+ 195.03241142 131.3
[M]- 195.03350858 131.3
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