CID 61679103

3-fluoro-4-(thiophen-2-yl)aniline

Structural Information

Molecular Formula
C10H8FNS
SMILES
C1=CSC(=C1)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C10H8FNS/c11-9-6-7(12)3-4-8(9)10-2-1-5-13-10/h1-6H,12H2
InChIKey
YPPDNAKUXNYDGL-UHFFFAOYSA-N
Compound name
3-fluoro-4-thiophen-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03615 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04343 136.2
[M+Na]+ 216.02537 146.3
[M-H]- 192.02887 142.3
[M+NH4]+ 211.06997 158.0
[M+K]+ 231.99931 141.8
[M+H-H2O]+ 176.03341 129.6
[M+HCOO]- 238.03435 157.0
[M+CH3COO]- 252.05000 150.4
[M+Na-2H]- 214.01082 138.3
[M]+ 193.03560 135.3
[M]- 193.03670 135.3
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.