CID 155971153

3-methyl-5-(trifluoromethyl)thiophen-2-amine hydrochloride

Structural Information

Molecular Formula
C6H6F3NS
SMILES
CC1=C(SC(=C1)C(F)(F)F)N
InChI
InChI=1S/C6H6F3NS/c1-3-2-4(6(7,8)9)11-5(3)10/h2H,10H2,1H3
InChIKey
NZJGBCNPZWVQCU-UHFFFAOYSA-N
Compound name
3-methyl-5-(trifluoromethyl)thiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0173 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02458 129.8
[M+Na]+ 204.00652 140.2
[M-H]- 180.01002 130.1
[M+NH4]+ 199.05112 152.1
[M+K]+ 219.98046 137.1
[M+H-H2O]+ 164.01456 122.7
[M+HCOO]- 226.01550 146.3
[M+CH3COO]- 240.03115 180.6
[M+Na-2H]- 201.99197 130.9
[M]+ 181.01675 126.6
[M]- 181.01785 126.6
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

No patent data available for this compound.