CID 2384861

N-{4-[(difluoromethyl)sulfanyl]phenyl}-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C14H10F2N2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)SC(F)F
InChI
InChI=1S/C14H10F2N2S2/c15-13(16)19-10-7-5-9(6-8-10)17-14-18-11-3-1-2-4-12(11)20-14/h1-8,13H,(H,17,18)
InChIKey
OCYQPGNKBMVSRS-UHFFFAOYSA-N
Compound name
N-[4-(difluoromethylsulfanyl)phenyl]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.02536 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03264 158.8
[M+Na]+ 331.01458 169.9
[M-H]- 307.01808 163.1
[M+NH4]+ 326.05918 176.1
[M+K]+ 346.98852 162.7
[M+H-H2O]+ 291.02262 150.7
[M+HCOO]- 353.02356 171.6
[M+CH3COO]- 367.03921 170.6
[M+Na-2H]- 329.00003 161.0
[M]+ 308.02481 160.9
[M]- 308.02591 160.9
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

patents stripe