CID 4962099

N-(3-fluoro-4-methylphenyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C14H11FN2S
SMILES
CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3S2)F
InChI
InChI=1S/C14H11FN2S/c1-9-6-7-10(8-11(9)15)16-14-17-12-4-2-3-5-13(12)18-14/h2-8H,1H3,(H,16,17)
InChIKey
RTMGZIDBXNDCBK-UHFFFAOYSA-N
Compound name
N-(3-fluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06268 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06996 152.4
[M+Na]+ 281.05190 164.3
[M-H]- 257.05540 158.9
[M+NH4]+ 276.09650 171.9
[M+K]+ 297.02584 158.2
[M+H-H2O]+ 241.05994 144.7
[M+HCOO]- 303.06088 172.7
[M+CH3COO]- 317.07653 166.0
[M+Na-2H]- 279.03735 156.9
[M]+ 258.06213 155.2
[M]- 258.06323 155.2
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.