CID 3002995

Gp35

Structural Information

Molecular Formula
C14H10F2N2S
SMILES
C1=CC=C2C(=C1)NC(=S)N2CC3=C(C=CC=C3F)F
InChI
InChI=1S/C14H10F2N2S/c15-10-4-3-5-11(16)9(10)8-18-13-7-2-1-6-12(13)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKey
PKLDDABFSBIARW-UHFFFAOYSA-N
Compound name
3-[(2,6-difluorophenyl)methyl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

276.05328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06056 155.8
[M+Na]+ 299.04250 169.3
[M-H]- 275.04600 158.5
[M+NH4]+ 294.08710 173.0
[M+K]+ 315.01644 161.1
[M+H-H2O]+ 259.05054 147.2
[M+HCOO]- 321.05148 171.3
[M+CH3COO]- 335.06713 168.3
[M+Na-2H]- 297.02795 157.6
[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

No literature data available for this compound.

Patent stripe

patents stripe