CID 165994216

1-[3-(difluoromethyl)thiophen-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C6H7F2NS
SMILES
C1=CSC(=C1C(F)F)CN
InChI
InChI=1S/C6H7F2NS/c7-6(8)4-1-2-10-5(4)3-9/h1-2,6H,3,9H2
InChIKey
AETUDOYLPPILAH-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)thiophen-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.02673 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03401 127.8
[M+Na]+ 186.01595 136.5
[M-H]- 162.01945 128.9
[M+NH4]+ 181.06055 150.4
[M+K]+ 201.98989 133.9
[M+H-H2O]+ 146.02399 120.8
[M+HCOO]- 208.02493 145.8
[M+CH3COO]- 222.04058 177.8
[M+Na-2H]- 184.00140 128.2
[M]+ 163.02618 125.3
[M]- 163.02728 125.3
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

No patent data available for this compound.