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

63
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 133.7
[M+Na]+ 191.00497 145.1
[M-H]- 167.00847 136.6
[M+NH4]+ 186.04957 152.7
[M+K]+ 206.97891 141.7
[M+H-H2O]+ 151.01301 121.2
[M+HCOO]- 213.01395 149.5
[M+CH3COO]- 227.02960 191.9
[M+Na-2H]- 188.99042 136.7
[M]+ 168.01520 128.1
[M]- 168.01630 128.1
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