CID 28972804

4-(tert-butylsulfanyl)-3-fluoroaniline

Structural Information

Molecular Formula
C10H14FNS
SMILES
CC(C)(C)SC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C10H14FNS/c1-10(2,3)13-9-5-4-7(12)6-8(9)11/h4-6H,12H2,1-3H3
InChIKey
LGRLBZUSPANJLX-UHFFFAOYSA-N
Compound name
4-tert-butylsulfanyl-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0831 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09038 141.2
[M+Na]+ 222.07232 149.9
[M-H]- 198.07582 143.7
[M+NH4]+ 217.11692 161.2
[M+K]+ 238.04626 146.2
[M+H-H2O]+ 182.08036 135.0
[M+HCOO]- 244.08130 157.8
[M+CH3COO]- 258.09695 187.0
[M+Na-2H]- 220.05777 143.6
[M]+ 199.08255 140.9
[M]- 199.08365 140.9
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.