CID 468861

Chembl340972

Structural Information

Molecular Formula
C20H14F2N2O2S
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H14F2N2O2S/c1-13-7-5-12-17-19(13)23-20(18-15(21)10-6-11-16(18)22)24(17)27(25,26)14-8-3-2-4-9-14/h2-12H,1H3
InChIKey
AQOFCLXUUXURNX-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-2-(2,6-difluorophenyl)-4-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

384.0744 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08168 188.8
[M+Na]+ 407.06362 202.2
[M-H]- 383.06712 196.2
[M+NH4]+ 402.10822 201.6
[M+K]+ 423.03756 194.3
[M+H-H2O]+ 367.07166 178.4
[M+HCOO]- 429.07260 203.9
[M+CH3COO]- 443.08825 199.9
[M+Na-2H]- 405.04907 190.5
[M]+ 384.07385 192.7
[M]- 384.07495 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe