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]+ 259.069956 152.4
[M+Na]+ 281.051898 164.3
[M-H]- 257.055404 158.9
[M+NH4]+ 276.096503 171.9
[M+K]+ 297.025838 158.2
[M+H-H2O]+ 241.059940 144.7
[M+HCOO]- 303.060881 172.7
[M+CH3COO]- 317.076531 166.0
[M+Na-2H]- 279.037346 156.9
[M]+ 258.06213142 155.2
[M]- 258.06322858 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.