CID 4356365

2-fluoro-4-thiocyanatoaniline

Structural Information

Molecular Formula
C7H5FN2S
SMILES
C1=CC(=C(C=C1SC#N)F)N
InChI
InChI=1S/C7H5FN2S/c8-6-3-5(11-4-9)1-2-7(6)10/h1-3H,10H2
InChIKey
RPLHGFNIWGHYMX-UHFFFAOYSA-N
Compound name
(4-amino-3-fluorophenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

168.01575 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02303 129.5
[M+Na]+ 191.00497 140.8
[M+NH4]+ 186.04957 134.8
[M+K]+ 206.97891 129.9
[M-H]- 167.00847 123.9
[M+Na-2H]- 188.99042 133.3
[M]+ 168.01520 129.0
[M]- 168.01630 129.0
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