CID 10931696

3-fluoro-2-(methylsulfanyl)aniline

Structural Information

Molecular Formula
C7H8FNS
SMILES
CSC1=C(C=CC=C1F)N
InChI
InChI=1S/C7H8FNS/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChIKey
GFGIPUGVPPOENQ-UHFFFAOYSA-N
Compound name
3-fluoro-2-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

157.03615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04343 126.6
[M+Na]+ 180.02537 136.1
[M-H]- 156.02887 129.3
[M+NH4]+ 175.06997 148.1
[M+K]+ 195.99931 132.7
[M+H-H2O]+ 140.03341 120.4
[M+HCOO]- 202.03435 145.7
[M+CH3COO]- 216.05000 178.2
[M+Na-2H]- 178.01082 129.8
[M]+ 157.03560 125.8
[M]- 157.03670 125.8
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