CID 10869540

475977-77-6

Structural Information

Molecular Formula
C14H10F2N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C14H10F2N2S/c15-10-6-5-9(7-11(10)16)8-19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKey
SJGQDELBODJGCQ-UHFFFAOYSA-N
Compound name
2-[(3,4-difluorophenyl)methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.05328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06056 155.4
[M+Na]+ 299.04250 167.9
[M-H]- 275.04600 157.8
[M+NH4]+ 294.08710 172.4
[M+K]+ 315.01644 160.3
[M+H-H2O]+ 259.05054 146.5
[M+HCOO]- 321.05148 170.9
[M+CH3COO]- 335.06713 167.6
[M+Na-2H]- 297.02795 158.1
[M]+ 276.05273 156.6
[M]- 276.05383 156.6
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

No patent data available for this compound.