CID 155973710

1-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H8F3NS
SMILES
CC1=C(SC(=C1)C(F)(F)F)CN
InChI
InChI=1S/C7H8F3NS/c1-4-2-6(7(8,9)10)12-5(4)3-11/h2H,3,11H2,1H3
InChIKey
XMBBCLVSKVIZQH-UHFFFAOYSA-N
Compound name
[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03296 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04024 134.4
[M+Na]+ 218.02218 144.4
[M-H]- 194.02568 134.5
[M+NH4]+ 213.06678 156.2
[M+K]+ 233.99612 141.0
[M+H-H2O]+ 178.03022 127.1
[M+HCOO]- 240.03116 150.6
[M+CH3COO]- 254.04681 183.6
[M+Na-2H]- 216.00763 135.0
[M]+ 195.03241 131.5
[M]- 195.03351 131.5
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.