CID 137458560

2271194-90-0

Structural Information

Molecular Formula
C18H14ClFN4
SMILES
CC1=NN(C(=C1C2=C(C=C(C=C2)F)Cl)N3C=NC4=CC=CC=C43)C
InChI
InChI=1S/C18H14ClFN4/c1-11-17(13-8-7-12(20)9-14(13)19)18(23(2)22-11)24-10-21-15-5-3-4-6-16(15)24/h3-10H,1-2H3
InChIKey
HYSNFLDIDOHKSV-UHFFFAOYSA-N
Compound name
1-[4-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrazol-3-yl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.0891 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09638 179.1
[M+Na]+ 363.07832 193.6
[M-H]- 339.08182 185.1
[M+NH4]+ 358.12292 193.3
[M+K]+ 379.05226 184.9
[M+H-H2O]+ 323.08636 167.9
[M+HCOO]- 385.08730 194.8
[M+CH3COO]- 399.10295 190.9
[M+Na-2H]- 361.06377 179.1
[M]+ 340.08855 184.2
[M]- 340.08965 184.2
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

patents stripe